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

Systemtic Name: 2-[[4-[(3-nitrophenyl)amino]pyrimido[5,4-d]pyrimidin-6-yl]amino]propan-1-ol Openeye Name: 2-[[4-(3-nitroanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]propan-1-ol CAS Name: 2-[[4-(3-nitroanilino)-6-pyrimido[5,4-d]pyrimidinyl]amino]-1-propanol IUPAC Name: 2-[[4-(3-nitroanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]propan-1-ol Traditional Name: 2-[[4-(3-nitroanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]propan-1-ol Formula: C15H15N7O3 MolecularWeight: 341.3247

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N7O3/c1-9(7-23)19-15-16-6-12-13(21-15)14(18-8-17-12)20-10-3-2-4-11(5-10)22(24)25/h2-6,8-9,23H,7H2,1H3,(H,16,19,21)(H,17,18,20)