Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C1Nc5c(OC1)ccc(C2=Nn4cnnc4SC2c3ccccc3)c5 |
InChI | InChI | 1.03 | InChI=1S/C18H13N5O2S/c24-15-9-25-14-7-6-12(8-13(14)20-15)16-17(11-4-2-1-3-5-11)26-18-21-19-10-23(18)22-16/h1-8,10,17H,9H2,(H,20,24)/t17-/m0/s1 |
InChIKey | InChI | 1.03 | PAZOXNQSXSODTC-KRWDZBQOSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | O=C1COc2ccc(cc2N1)C3=Nn4cnnc4S[C@H]3c5ccccc5 |
SMILES | CACTVS | 3.370 | O=C1COc2ccc(cc2N1)C3=Nn4cnnc4S[CH]3c5ccccc5 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1ccc(cc1)[C@H]2C(=Nn3cnnc3S2)c4ccc5c(c4)NC(=O)CO5 |
SMILES | OpenEye OEToolkits | 1.7.2 | c1ccc(cc1)C2C(=Nn3cnnc3S2)c4ccc5c(c4)NC(=O)CO5 |