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

Systemtic Name: N-(3-azanylpropyl)-3-chloranyl-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-chloro-benzamide CAS Name: N-(3-aminopropyl)-3-chloro-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-chlorobenzamide Traditional Name: N-(3-aminopropyl)-N-[1-(1-benzyl-4-cyano-6-keto-5-methyl-pyrimidin-2-yl)-2-methyl-propyl]-3-chloro-benzamide Formula: C27H30ClN5O2 MolecularWeight: 492.0124

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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)Cl)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)Cl)C#N

InChI

InChI=1S/C27H30ClN5O2/c1-18(2)24(32(14-8-13-29)27(35)21-11-7-12-22(28)15-21)25-31-23(16-30)19(3)26(34)33(25)17-20-9-5-4-6-10-20/h4-7,9-12,15,18,24H,8,13-14,17,29H2,1-3H3