N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-3-methyl-N-(3-methylbutyl)but-2-enamide

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-3-methyl-N-(3-methylbutyl)but-2-enamide Openeye Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-N-isopentyl-3-methyl-but-2-enamide CAS Name: N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-3-methyl-N-(3-methylbutyl)-2-butenamide IUPAC Name: N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-methyl-N-(3-methylbutyl)but-2-enamide Traditional Name: N-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-N-isoamyl-3-methyl-but-2-enamide Formula: C21H28N4O3 MolecularWeight: 384.47202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C=C(C)C

Isomeric SMILES

CC(C)CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C=C(C)C

InChI

InChI=1S/C21H28N4O3/c1-14(2)10-11-24(17(26)12-15(3)4)18-19(22)25(21(28)23-20(18)27)13-16-8-6-5-7-9-16/h5-9,12,14H,10-11,13,22H2,1-4H3,(H,23,27,28)