N-(2-azanylethyl)-N-[1-[4-cyano-5-methyl-6-oxidanylidene-1-(phenylmethyl)pyrimidin-2-yl]-2-methyl-propyl]-4-methyl-benzamide

Systemtic Name: N-(2-azanylethyl)-N-[1-[4-cyano-5-methyl-6-oxidanylidene-1-(phenylmethyl)pyrimidin-2-yl]-2-methyl-propyl]-4-methyl-benzamide Openeye Name: N-(2-aminoethyl)-N-[1-(1-benzyl-4-cyano-5-methyl-6-oxo-pyrimidin-2-yl)-2-methyl-propyl]-4-methyl-benzamide CAS Name: N-(2-aminoethyl)-N-[1-[4-cyano-5-methyl-6-oxo-1-(phenylmethyl)-2-pyrimidinyl]-2-methylpropyl]-4-methylbenzamide IUPAC Name: N-(2-aminoethyl)-N-[1-(1-benzyl-4-cyano-5-methyl-6-oxopyrimidin-2-yl)-2-methylpropyl]-4-methylbenzamide Traditional Name: N-(2-aminoethyl)-N-[1-(1-benzyl-4-cyano-6-keto-5-methyl-pyrimidin-2-yl)-2-methyl-propyl]-4-methyl-benzamide Formula: C27H31N5O2 MolecularWeight: 457.56734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N(CCN)C(C2=NC(=C(C(=O)N2CC3=CC=CC=C3)C)C#N)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N(CCN)C(C2=NC(=C(C(=O)N2CC3=CC=CC=C3)C)C#N)C(C)C

InChI

InChI=1S/C27H31N5O2/c1-18(2)24(31(15-14-28)27(34)22-12-10-19(3)11-13-22)25-30-23(16-29)20(4)26(33)32(25)17-21-8-6-5-7-9-21/h5-13,18,24H,14-15,17,28H2,1-4H3