4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-5-(3,4,5-trimethoxyphenyl)carbonyl-pyrimidine-2-carbonitrile

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-5-(3,4,5-trimethoxyphenyl)carbonyl-pyrimidine-2-carbonitrile Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-5-(3,4,5-trimethoxybenzoyl)pyrimidine-2-carbonitrile CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-5-[oxo-(3,4,5-trimethoxyphenyl)methyl]-2-pyrimidinecarbonitrile IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-5-(3,4,5-trimethoxybenzoyl)pyrimidine-2-carbonitrile Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-5-(3,4,5-trimethoxybenzoyl)pyrimidine-2-carbonitrile Formula: C23H21ClN4O5 MolecularWeight: 468.88964

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NC(=NC=C2C(=O)C3=CC(=C(C(=C3)OC)OC)OC)C#N)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NC(=NC=C2C(=O)C3=CC(=C(C(=C3)OC)OC)OC)C#N)Cl

InChI

InChI=1S/C23H21ClN4O5/c1-30-17-6-5-13(7-16(17)24)11-27-23-15(12-26-20(10-25)28-23)21(29)14-8-18(31-2)22(33-4)19(9-14)32-3/h5-9,12H,11H2,1-4H3,(H,26,27,28)