N-[4-[[3-[2,6-bis(chloranyl)-3,5-dimethoxy-phenyl]-7-[4-(diethylamino)butylamino]-2-oxidanylidene-4H-pyrimido[4,5-d]pyrimidin-1-yl]methyl]phenyl]prop-2-enamide

Systemtic Name: N-[4-[[3-[2,6-bis(chloranyl)-3,5-dimethoxy-phenyl]-7-[4-(diethylamino)butylamino]-2-oxidanylidene-4H-pyrimido[4,5-d]pyrimidin-1-yl]methyl]phenyl]prop-2-enamide Openeye Name: N-[4-[[3-(2,6-dichloro-3,5-dimethoxy-phenyl)-7-[4-(diethylamino)butylamino]-2-oxo-4H-pyrimido[4,5-d]pyrimidin-1-yl]methyl]phenyl]prop-2-enamide CAS Name: N-[4-[[3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-[4-(diethylamino)butylamino]-2-oxo-4H-pyrimido[4,5-d]pyrimidin-1-yl]methyl]phenyl]-2-propenamide IUPAC Name: N-[4-[[3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-[4-(diethylamino)butylamino]-2-oxo-4H-pyrimido[4,5-d]pyrimidin-1-yl]methyl]phenyl]prop-2-enamide Traditional Name: N-[4-[[3-(2,6-dichloro-3,5-dimethoxy-phenyl)-7-[4-(diethylamino)butylamino]-2-keto-4H-pyrimido[4,5-d]pyrimidin-1-yl]methyl]phenyl]acrylamide Formula: C32H39Cl2N7O4 MolecularWeight: 656.60256

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCCNC1=NC=C2CN(C(=O)N(C2=N1)CC3=CC=C(C=C3)NC(=O)C=C)C4=C(C(=CC(=C4Cl)OC)OC)Cl

Isomeric SMILES

CCN(CC)CCCCNC1=NC=C2CN(C(=O)N(C2=N1)CC3=CC=C(C=C3)NC(=O)C=C)C4=C(C(=CC(=C4Cl)OC)OC)Cl

InChI

InChI=1S/C32H39Cl2N7O4/c1-6-26(42)37-23-13-11-21(12-14-23)19-41-30-22(18-36-31(38-30)35-15-9-10-16-39(7-2)8-3)20-40(32(41)43)29-27(33)24(44-4)17-25(45-5)28(29)34/h6,11-14,17-18H,1,7-10,15-16,19-20H2,2-5H3,(H,37,42)(H,35,36,38)