Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | n3c2c(cc(C1=NCCN1)cc2)nc3c4sc(cc4)c6ccc(C5=NCCN5)cc6 |
SMILES_CANONICAL | CACTVS | 3.341 | C1CN=C(N1)c2ccc(cc2)c3sc(cc3)c4[nH]c5cc(ccc5n4)C6=NCCN6 |
SMILES | CACTVS | 3.341 | C1CN=C(N1)c2ccc(cc2)c3sc(cc3)c4[nH]c5cc(ccc5n4)C6=NCCN6 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1c2ccc(s2)c3[nH]c4cc(ccc4n3)C5=NCCN5)C6=NCCN6 |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1c2ccc(s2)c3[nH]c4cc(ccc4n3)C5=NCCN5)C6=NCCN6 |
InChI | InChI | 1.03 | InChI=1S/C23H20N6S/c1-3-15(21-24-9-10-25-21)4-2-14(1)19-7-8-20(30-19)23-28-17-6-5-16(13-18(17)29-23)22-26-11-12-27-22/h1-8,13H,9-12H2,(H,24,25)(H,26,27)(H,28,29) |
InChIKey | InChI | 1.03 | KPAUDMFCLSTUBG-UHFFFAOYSA-N |