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

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-N-(furan-2-ylmethyl)-3-methyl-but-2-enamide Openeye Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-N-(2-furylmethyl)-3-methyl-but-2-enamide CAS Name: N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-N-(2-furanylmethyl)-3-methyl-2-butenamide IUPAC Name: N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-3-methylbut-2-enamide Traditional Name: N-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-N-(2-furfuryl)-3-methyl-but-2-enamide Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)N(CC1=CC=CO1)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N)C

Isomeric SMILES

CC(=CC(=O)N(CC1=CC=CO1)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N)C

InChI

InChI=1S/C21H22N4O4/c1-14(2)11-17(26)24(13-16-9-6-10-29-16)18-19(22)25(21(28)23-20(18)27)12-15-7-4-3-5-8-15/h3-11H,12-13,22H2,1-2H3,(H,23,27,28)