N4-(3-nitrophenyl)-N6-(oxolan-3-yl)pyrimido[5,4-d]pyrimidine-4,6-diamine

Systemtic Name: N4-(3-nitrophenyl)-N6-(oxolan-3-yl)pyrimido[5,4-d]pyrimidine-4,6-diamine Openeye Name: N4-(3-nitrophenyl)-N6-tetrahydrofuran-3-yl-pyrimido[5,4-d]pyrimidine-4,6-diamine CAS Name: N4-(3-nitrophenyl)-N6-(3-oxolanyl)pyrimido[5,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-(3-nitrophenyl)-6-N-(oxolan-3-yl)pyrimido[5,4-d]pyrimidine-4,6-diamine Traditional Name: [4-(3-nitroanilino)pyrimido[5,4-d]pyrimidin-6-yl]-tetrahydrofuran-3-yl-amine Formula: C16H15N7O3 MolecularWeight: 353.3354

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC1NC2=NC=C3C(=N2)C(=NC=N3)NC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1COCC1NC2=NC=C3C(=N2)C(=NC=N3)NC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C16H15N7O3/c24-23(25)12-3-1-2-10(6-12)20-15-14-13(18-9-19-15)7-17-16(22-14)21-11-4-5-26-8-11/h1-3,6-7,9,11H,4-5,8H2,(H,17,21,22)(H,18,19,20)