4-[[4-azanyl-5-ethanoyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)pyrimidin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-azanyl-5-ethanoyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)pyrimidin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[(5-acetyl-4-amino-3-benzyl-2,6-dioxo-pyrimidin-1-yl)methyl]benzonitrile CAS Name: 4-[[5-acetyl-4-amino-2,6-dioxo-3-(phenylmethyl)-1-pyrimidinyl]methyl]benzonitrile IUPAC Name: 4-[(5-acetyl-4-amino-3-benzyl-2,6-dioxopyrimidin-1-yl)methyl]benzonitrile Traditional Name: 4-[(5-acetyl-4-amino-3-benzyl-2,6-diketo-pyrimidin-1-yl)methyl]benzonitrile Formula: C21H18N4O3 MolecularWeight: 374.39262

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(N(C(=O)N(C1=O)CC2=CC=C(C=C2)C#N)CC3=CC=CC=C3)N

Isomeric SMILES

CC(=O)C1=C(N(C(=O)N(C1=O)CC2=CC=C(C=C2)C#N)CC3=CC=CC=C3)N

InChI

InChI=1S/C21H18N4O3/c1-14(26)18-19(23)24(12-16-5-3-2-4-6-16)21(28)25(20(18)27)13-17-9-7-15(11-22)8-10-17/h2-10H,12-13,23H2,1H3