1-methyl-4-[[4-[(3-nitrophenyl)amino]pyrimido[5,4-d]pyrimidin-6-yl]amino]cyclohexan-1-ol

Systemtic Name: 1-methyl-4-[[4-[(3-nitrophenyl)amino]pyrimido[5,4-d]pyrimidin-6-yl]amino]cyclohexan-1-ol Openeye Name: 1-methyl-4-[[4-(3-nitroanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]cyclohexanol CAS Name: 1-methyl-4-[[4-(3-nitroanilino)-6-pyrimido[5,4-d]pyrimidinyl]amino]-1-cyclohexanol IUPAC Name: 1-methyl-4-[[4-(3-nitroanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]cyclohexan-1-ol Traditional Name: 1-methyl-4-[[4-(3-nitroanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]cyclohexanol Formula: C19H21N7O3 MolecularWeight: 395.41514

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(CC1)NC2=NC=C3C(=N2)C(=NC=N3)NC4=CC(=CC=C4)[N+](=O)[O-])O

Isomeric SMILES

CC1(CCC(CC1)NC2=NC=C3C(=N2)C(=NC=N3)NC4=CC(=CC=C4)[N+](=O)[O-])O

InChI

InChI=1S/C19H21N7O3/c1-19(27)7-5-12(6-8-19)24-18-20-10-15-16(25-18)17(22-11-21-15)23-13-3-2-4-14(9-13)26(28)29/h2-4,9-12,27H,5-8H2,1H3,(H,20,24,25)(H,21,22,23)