N4-(3-nitrophenyl)-N6-(oxolan-2-ylmethyl)pyrimido[5,4-d]pyrimidine-4,6-diamine

Systemtic Name: N4-(3-nitrophenyl)-N6-(oxolan-2-ylmethyl)pyrimido[5,4-d]pyrimidine-4,6-diamine Openeye Name: N4-(3-nitrophenyl)-N6-(tetrahydrofuran-2-ylmethyl)pyrimido[5,4-d]pyrimidine-4,6-diamine CAS Name: N4-(3-nitrophenyl)-N6-(2-oxolanylmethyl)pyrimido[5,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-(3-nitrophenyl)-6-N-(oxolan-2-ylmethyl)pyrimido[5,4-d]pyrimidine-4,6-diamine Traditional Name: [4-(3-nitroanilino)pyrimido[5,4-d]pyrimidin-6-yl]-(tetrahydrofurfuryl)amine Formula: C17H17N7O3 MolecularWeight: 367.36198

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC2=NC=C3C(=N2)C(=NC=N3)NC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC(OC1)CNC2=NC=C3C(=N2)C(=NC=N3)NC4=CC(=CC=C4)[N+](=O)[O-]

InChI

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