N-[4-chloranyl-3-[7-[[4-(2-diethylaminoethyloxy)phenyl]amino]-1-methyl-2-oxidanylidene-4H-pyrimido[4,5-d]pyrimidin-3-yl]phenyl]-3-pyridin-3-yl-propanamide; ethanoic acid

Systemtic Name: N-[4-chloranyl-3-[7-[[4-(2-diethylaminoethyloxy)phenyl]amino]-1-methyl-2-oxidanylidene-4H-pyrimido[4,5-d]pyrimidin-3-yl]phenyl]-3-pyridin-3-yl-propanamide; ethanoic acid Openeye Name: acetic acid; N-[4-chloro-3-[7-[4-(2-diethylaminoethyloxy)anilino]-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl]phenyl]-3-(3-pyridyl)propanamide CAS Name: acetic acid; N-[4-chloro-3-[7-[4-(2-diethylaminoethyloxy)anilino]-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl]phenyl]-3-(3-pyridinyl)propanamide IUPAC Name: acetic acid; N-[4-chloro-3-[7-[4-(2-diethylaminoethyloxy)anilino]-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl]phenyl]-3-pyridin-3-ylpropanamide Traditional Name: acetic acid; N-[4-chloro-3-[7-[4-(2-diethylaminoethyloxy)anilino]-2-keto-1-methyl-4H-pyrimido[4,5-d]pyrimidin-3-yl]phenyl]-3-(3-pyridyl)propionamide Formula: C35H41ClN8O5 MolecularWeight: 689.20364

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC1=CC=C(C=C1)NC2=NC=C3CN(C(=O)N(C3=N2)C)C4=C(C=CC(=C4)NC(=O)CCC5=CN=CC=C5)Cl.CC(=O)O

Isomeric SMILES

CCN(CC)CCOC1=CC=C(C=C1)NC2=NC=C3CN(C(=O)N(C3=N2)C)C4=C(C=CC(=C4)NC(=O)CCC5=CN=CC=C5)Cl.CC(=O)O

InChI

InChI=1S/C33H37ClN8O3.C2H4O2/c1-4-41(5-2)17-18-45-27-12-9-25(10-13-27)38-32-36-21-24-22-42(33(44)40(3)31(24)39-32)29-19-26(11-14-28(29)34)37-30(43)15-8-23-7-6-16-35-20-23;1-2(3)4/h6-7,9-14,16,19-21H,4-5,8,15,17-18,22H2,1-3H3,(H,37,43)(H,36,38,39);1H3,(H,3,4)