N4-(6-morpholin-4-ylpyrimido[5,4-d]pyrimidin-4-yl)-2-nitro-benzene-1,4-diamine

Systemtic Name: N4-(6-morpholin-4-ylpyrimido[5,4-d]pyrimidin-4-yl)-2-nitro-benzene-1,4-diamine Openeye Name: N4-(6-morpholinopyrimido[5,4-d]pyrimidin-4-yl)-2-nitro-benzene-1,4-diamine CAS Name: N4-[6-(4-morpholinyl)-4-pyrimido[5,4-d]pyrimidinyl]-2-nitrobenzene-1,4-diamine IUPAC Name: 4-N-(6-morpholin-4-ylpyrimido[5,4-d]pyrimidin-4-yl)-2-nitrobenzene-1,4-diamine Traditional Name: (4-amino-3-nitro-phenyl)-(6-morpholinopyrimido[5,4-d]pyrimidin-4-yl)amine Formula: C16H16N8O3 MolecularWeight: 368.35004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC=C3C(=N2)C(=NC=N3)NC4=CC(=C(C=C4)N)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=NC=C3C(=N2)C(=NC=N3)NC4=CC(=C(C=C4)N)[N+](=O)[O-]

InChI

InChI=1S/C16H16N8O3/c17-11-2-1-10(7-13(11)24(25)26)21-15-14-12(19-9-20-15)8-18-16(22-14)23-3-5-27-6-4-23/h1-2,7-9H,3-6,17H2,(H,19,20,21)