(E)-N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-N-propyl-3-thiophen-2-yl-prop-2-enamide

Systemtic Name: (E)-N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-N-propyl-3-thiophen-2-yl-prop-2-enamide Openeye Name: (E)-N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-N-propyl-3-(2-thienyl)prop-2-enamide CAS Name: (E)-N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-N-propyl-3-thiophen-2-yl-2-propenamide IUPAC Name: (E)-N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-propyl-3-thiophen-2-ylprop-2-enamide Traditional Name: (E)-N-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-N-propyl-3-(2-thienyl)acrylamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C=CC3=CC=CS3

Isomeric SMILES

CCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)/C=C/C3=CC=CS3

InChI

InChI=1S/C21H22N4O3S/c1-2-12-24(17(26)11-10-16-9-6-13-29-16)18-19(22)25(21(28)23-20(18)27)14-15-7-4-3-5-8-15/h3-11,13H,2,12,14,22H2,1H3,(H,23,27,28)/b11-10+