Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C21H24N6O3/c1-14-5-6-18(24-23-14)20-17(15(2)30-25-20)11-27-19(28)9-16(10-22-27)26-12-21(13-26)7-3-4-8-29-21/h5-6,9-10H,3-4,7-8,11-13H2,1-2H3 |
InChIKey | InChI | 1.06 | QYKLVMLNXMQKCM-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1onc(c1CN2N=CC(=CC2=O)N3CC4(CCCCO4)C3)c5ccc(C)nn5 |
SMILES | CACTVS | 3.385 | Cc1onc(c1CN2N=CC(=CC2=O)N3CC4(CCCCO4)C3)c5ccc(C)nn5 |
SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1ccc(nn1)c2c(c(on2)C)CN3C(=O)C=C(C=N3)N4CC5(C4)CCCCO5 |
SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1ccc(nn1)c2c(c(on2)C)CN3C(=O)C=C(C=N3)N4CC5(C4)CCCCO5 |