Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C2N(c1nc(nc(c1C=C2c3cnnc3)C)N)C4CCCC4 |
InChI | InChI | 1.03 | InChI=1S/C16H18N6O/c1-9-12-6-13(10-7-18-19-8-10)15(23)22(11-4-2-3-5-11)14(12)21-16(17)20-9/h6-8,11H,2-5H2,1H3,(H,18,19)(H2,17,20,21) |
InChIKey | InChI | 1.03 | VMGMCPMGGFUNMP-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | Cc1nc(N)nc2N(C3CCCC3)C(=O)C(=Cc12)c4c[nH]nc4 |
SMILES | CACTVS | 3.370 | Cc1nc(N)nc2N(C3CCCC3)C(=O)C(=Cc12)c4c[nH]nc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1c2c(nc(n1)N)N(C(=O)C(=C2)c3c[nH]nc3)C4CCCC4 |
SMILES | OpenEye OEToolkits | 1.7.6 | Cc1c2c(nc(n1)N)N(C(=O)C(=C2)c3c[nH]nc3)C4CCCC4 |