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

Systemtic Name: (E)-N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-N-butyl-3-thiophen-2-yl-prop-2-enamide Openeye Name: (E)-N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-N-butyl-3-(2-thienyl)prop-2-enamide CAS Name: (E)-N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-N-butyl-3-thiophen-2-yl-2-propenamide IUPAC Name: (E)-N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-thiophen-2-ylprop-2-enamide Traditional Name: (E)-N-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-N-butyl-3-(2-thienyl)acrylamide Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O3S/c1-2-3-13-25(18(27)12-11-17-10-7-14-30-17)19-20(23)26(22(29)24-21(19)28)15-16-8-5-4-6-9-16/h4-12,14H,2-3,13,15,23H2,1H3,(H,24,28,29)/b12-11+