4-[[4-[(4-azanyl-3-nitro-phenyl)amino]pyrimido[5,4-d]pyrimidin-6-yl]amino]cyclohexan-1-ol

Systemtic Name: 4-[[4-[(4-azanyl-3-nitro-phenyl)amino]pyrimido[5,4-d]pyrimidin-6-yl]amino]cyclohexan-1-ol Openeye Name: 4-[[4-(4-amino-3-nitro-anilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]cyclohexanol CAS Name: 4-[[4-(4-amino-3-nitroanilino)-6-pyrimido[5,4-d]pyrimidinyl]amino]-1-cyclohexanol IUPAC Name: 4-[[4-(4-amino-3-nitroanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]cyclohexan-1-ol Traditional Name: 4-[[4-(4-amino-3-nitro-anilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]cyclohexanol Formula: C18H20N8O3 MolecularWeight: 396.4032

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1NC2=NC=C3C(=N2)C(=NC=N3)NC4=CC(=C(C=C4)N)[N+](=O)[O-])O

Isomeric SMILES

C1CC(CCC1NC2=NC=C3C(=N2)C(=NC=N3)NC4=CC(=C(C=C4)N)[N+](=O)[O-])O

InChI

InChI=1S/C18H20N8O3/c19-13-6-3-11(7-15(13)26(28)29)23-17-16-14(21-9-22-17)8-20-18(25-16)24-10-1-4-12(27)5-2-10/h3,6-10,12,27H,1-2,4-5,19H2,(H,20,24,25)(H,21,22,23)