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

Systemtic Name: N4-(3-nitrophenyl)-N6-(oxan-4-yl)pyrimido[5,4-d]pyrimidine-4,6-diamine Openeye Name: N4-(3-nitrophenyl)-N6-tetrahydropyran-4-yl-pyrimido[5,4-d]pyrimidine-4,6-diamine CAS Name: N4-(3-nitrophenyl)-N6-(4-oxanyl)pyrimido[5,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-(3-nitrophenyl)-6-N-(oxan-4-yl)pyrimido[5,4-d]pyrimidine-4,6-diamine Traditional Name: [4-(3-nitroanilino)pyrimido[5,4-d]pyrimidin-6-yl]-tetrahydropyran-4-yl-amine Formula: C17H17N7O3 MolecularWeight: 367.36198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1NC2=NC=C3C(=N2)C(=NC=N3)NC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1COCCC1NC2=NC=C3C(=N2)C(=NC=N3)NC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H17N7O3/c25-24(26)13-3-1-2-12(8-13)21-16-15-14(19-10-20-16)9-18-17(23-15)22-11-4-6-27-7-5-11/h1-3,8-11H,4-7H2,(H,18,22,23)(H,19,20,21)