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

Systemtic Name: N6-(2-morpholin-4-ylethyl)-N4-(3-nitrophenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine Openeye Name: N6-(2-morpholinoethyl)-N4-(3-nitrophenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine CAS Name: N6-[2-(4-morpholinyl)ethyl]-N4-(3-nitrophenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine IUPAC Name: 6-N-(2-morpholin-4-ylethyl)-4-N-(3-nitrophenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine Traditional Name: 2-morpholinoethyl-[4-(3-nitroanilino)pyrimido[5,4-d]pyrimidin-6-yl]amine Formula: C18H20N8O3 MolecularWeight: 396.4032

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCNC2=NC=C3C(=N2)C(=NC=N3)NC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1CCNC2=NC=C3C(=N2)C(=NC=N3)NC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H20N8O3/c27-26(28)14-3-1-2-13(10-14)23-17-16-15(21-12-22-17)11-20-18(24-16)19-4-5-25-6-8-29-9-7-25/h1-3,10-12H,4-9H2,(H,19,20,24)(H,21,22,23)