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

Systemtic Name: N-[1-[4-acetamido-6-oxidanylidene-1-(phenylmethyl)pyrimidin-2-yl]-2-methyl-propyl]-N-(3-azanylpropyl)-4-methyl-benzamide Openeye Name: N-[1-(4-acetamido-1-benzyl-6-oxo-pyrimidin-2-yl)-2-methyl-propyl]-N-(3-aminopropyl)-4-methyl-benzamide CAS Name: N-[1-[4-acetamido-6-oxo-1-(phenylmethyl)-2-pyrimidinyl]-2-methylpropyl]-N-(3-aminopropyl)-4-methylbenzamide IUPAC Name: N-[1-(4-acetamido-1-benzyl-6-oxopyrimidin-2-yl)-2-methylpropyl]-N-(3-aminopropyl)-4-methylbenzamide Traditional Name: N-[1-(4-acetamido-1-benzyl-6-keto-pyrimidin-2-yl)-2-methyl-propyl]-N-(3-aminopropyl)-4-methyl-benzamide Formula: C28H35N5O3 MolecularWeight: 489.6092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H35N5O3/c1-19(2)26(32(16-8-15-29)28(36)23-13-11-20(3)12-14-23)27-31-24(30-21(4)34)17-25(35)33(27)18-22-9-6-5-7-10-22/h5-7,9-14,17,19,26H,8,15-16,18,29H2,1-4H3,(H,30,34)