N-(3-azanylpropyl)-4-cyano-N-[1-[4,5-dimethyl-6-oxidanylidene-1-(phenylmethyl)pyrimidin-2-yl]-2-methyl-propyl]benzamide

Systemtic Name: N-(3-azanylpropyl)-4-cyano-N-[1-[4,5-dimethyl-6-oxidanylidene-1-(phenylmethyl)pyrimidin-2-yl]-2-methyl-propyl]benzamide Openeye Name: N-(3-aminopropyl)-N-[1-(1-benzyl-4,5-dimethyl-6-oxo-pyrimidin-2-yl)-2-methyl-propyl]-4-cyano-benzamide CAS Name: N-(3-aminopropyl)-4-cyano-N-[1-[4,5-dimethyl-6-oxo-1-(phenylmethyl)-2-pyrimidinyl]-2-methylpropyl]benzamide IUPAC Name: N-(3-aminopropyl)-N-[1-(1-benzyl-4,5-dimethyl-6-oxopyrimidin-2-yl)-2-methylpropyl]-4-cyanobenzamide Traditional Name: N-(3-aminopropyl)-N-[1-(1-benzyl-6-keto-4,5-dimethyl-pyrimidin-2-yl)-2-methyl-propyl]-4-cyano-benzamide Formula: C28H33N5O2 MolecularWeight: 471.59392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N(C1=O)CC2=CC=CC=C2)C(C(C)C)N(CCCN)C(=O)C3=CC=C(C=C3)C#N)C

Isomeric SMILES

CC1=C(N=C(N(C1=O)CC2=CC=CC=C2)C(C(C)C)N(CCCN)C(=O)C3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C28H33N5O2/c1-19(2)25(32(16-8-15-29)28(35)24-13-11-22(17-30)12-14-24)26-31-21(4)20(3)27(34)33(26)18-23-9-6-5-7-10-23/h5-7,9-14,19,25H,8,15-16,18,29H2,1-4H3