2-methyl-2-[[4-[(3-nitrophenyl)amino]pyrimido[5,4-d]pyrimidin-6-yl]amino]propan-1-ol

Systemtic Name: 2-methyl-2-[[4-[(3-nitrophenyl)amino]pyrimido[5,4-d]pyrimidin-6-yl]amino]propan-1-ol Openeye Name: 2-methyl-2-[[4-(3-nitroanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]propan-1-ol CAS Name: 2-methyl-2-[[4-(3-nitroanilino)-6-pyrimido[5,4-d]pyrimidinyl]amino]-1-propanol IUPAC Name: 2-methyl-2-[[4-(3-nitroanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]propan-1-ol Traditional Name: 2-methyl-2-[[4-(3-nitroanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]propan-1-ol Formula: C16H17N7O3 MolecularWeight: 355.35128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)NC1=NC=C2C(=N1)C(=NC=N2)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(CO)NC1=NC=C2C(=N1)C(=NC=N2)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H17N7O3/c1-16(2,8-24)22-15-17-7-12-13(21-15)14(19-9-18-12)20-10-4-3-5-11(6-10)23(25)26/h3-7,9,24H,8H2,1-2H3,(H,17,21,22)(H,18,19,20)