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

Systemtic Name: N6-tert-butyl-N4-(3-nitrophenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine Openeye Name: N6-tert-butyl-N4-(3-nitrophenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine CAS Name: N6-tert-butyl-N4-(3-nitrophenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine IUPAC Name: 6-N-tert-butyl-4-N-(3-nitrophenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine Traditional Name: tert-butyl-[4-(3-nitroanilino)pyrimido[5,4-d]pyrimidin-6-yl]amine Formula: C16H17N7O2 MolecularWeight: 339.35188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N7O2/c1-16(2,3)22-15-17-8-12-13(21-15)14(19-9-18-12)20-10-5-4-6-11(7-10)23(24)25/h4-9H,1-3H3,(H,17,21,22)(H,18,19,20)