1046 Marvin 12300703363D 14 14 0 0 0 0 999 V2000 0.1676 -2.6109 0.5161 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3207 -0.3483 0.1410 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0323 2.0124 0.1003 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8669 -1.7458 -0.4224 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0418 -0.3798 0.1103 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7023 0.8715 0.0983 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6962 -1.5987 0.0803 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0634 0.7872 0.1392 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3880 2.0186 0.1145 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7211 0.9486 0.0945 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0836 0.7397 0.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8978 2.9038 0.1076 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2997 -1.0196 -0.8262 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2903 -2.5787 -0.4044 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 2 0 0 0 0 2 5 2 0 0 0 0 2 8 1 0 0 0 0 3 6 2 0 0 0 0 3 9 1 0 0 0 0 4 7 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 10 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 12 1 0 0 0 0 M END > 2 5 8 2 8 8 3 6 8 3 9 8 5 6 8 8 9 8 > InChI=1S/C5H5N3O/c6-5(9)4-3-7-1-2-8-4/h1-3H,(H2,6,9) > IPEHBUMCGVEMRF-UHFFFAOYSA-N > 1/1/N:9,8,6,5,7,4,3,2,1/rA:14nONNNCCCCCHHHHH/rB:;;;d2;d3s5;d1s4s5;s2;s3d8;s6;s8;s9;s4;s4;/rC:.1676,-2.6109,.5161;-1.3207,-.3483,.141;-.0323,2.0124,.1003;1.8669,-1.7458,-.4224;.0418,-.3798,.1103;.7023,.8715,.0983;.6962,-1.5987,.0803;-2.0634,.7872,.1392;-1.388,2.0186,.1145;1.7211,.9486,.0945;-3.0836,.7397,.151;-1.8978,2.9038,.1076;2.2997,-1.0196,-.8262;2.2903,-2.5787,-.4044; > C5 H5 N3 O > 123.1127 > O=C(C1C([H])=NC([H])=C([H])N=1)N([H])[H] > 1017 $$$$