PDB CCD ID: | X1N |
Number of entries in BioLiP: | 2 |
Chemical formula: | C16 H13 N5 O2 S |
InChI: | InChI=1S/C16H13N5O2S/c1-9-18-13-6-5-10-8-17-16(20-14(10)15(13)24-9)19-11-3-2-4-12(7-11)21(22)23/h2,4,7-8H,3,5-6H2,1H3/b19-11- |
InChIKey: | CMWWYSDXIZEJPA-ODLFYWEKSA-N |
SMILES: | Software | SMILES |
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ACDLabs 10.04 | [O-][N+](=O)C=4C=CCC(=N\c1ncc3c(n1)c2sc(nc2CC3)C)\C=4 | OpenEye OEToolkits 1.6.1 | Cc1nc2c(s1)-c3c(cnc(n3)N=C4CC=CC(=C4)[N+](=O)[O-])CC2 | CACTVS 3.352 | Cc1sc2c(CCc3cnc(N=C4CC=CC(=C4)[N+]([O-])=O)nc23)n1 |
|
Name: | 2-METHYL-N-[(1Z)-3-NITROCYCLOHEXA-2,4-DIEN-1-YLIDENE]-4,5-DIHYDRO[1,3]THIAZOLO[4,5-H]QUINAZOLIN-8-AMINE |
ZINC: | ZINC000103560728 |