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

Systemtic Name: N-(3-azanylpropyl)-3-cyano-N-[1-[4-cyano-5-methyl-6-oxidanylidene-1-(phenylmethyl)pyrimidin-2-yl]-2-methyl-propyl]benzamide Openeye Name: N-(3-aminopropyl)-N-[1-(1-benzyl-4-cyano-5-methyl-6-oxo-pyrimidin-2-yl)-2-methyl-propyl]-3-cyano-benzamide CAS Name: N-(3-aminopropyl)-3-cyano-N-[1-[4-cyano-5-methyl-6-oxo-1-(phenylmethyl)-2-pyrimidinyl]-2-methylpropyl]benzamide IUPAC Name: N-(3-aminopropyl)-N-[1-(1-benzyl-4-cyano-5-methyl-6-oxopyrimidin-2-yl)-2-methylpropyl]-3-cyanobenzamide Traditional Name: N-(3-aminopropyl)-N-[1-(1-benzyl-4-cyano-6-keto-5-methyl-pyrimidin-2-yl)-2-methyl-propyl]-3-cyano-benzamide Formula: C28H30N6O2 MolecularWeight: 482.5768

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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=CC(=C3)C#N)C#N

Isomeric SMILES

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

InChI

InChI=1S/C28H30N6O2/c1-19(2)25(33(14-8-13-29)28(36)23-12-7-11-22(15-23)16-30)26-32-24(17-31)20(3)27(35)34(26)18-21-9-5-4-6-10-21/h4-7,9-12,15,19,25H,8,13-14,18,29H2,1-3H3