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

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-N-butyl-2-thiophen-3-yl-ethanamide Openeye Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-N-butyl-2-(3-thienyl)acetamide CAS Name: N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-N-butyl-2-(3-thiophenyl)acetamide IUPAC Name: N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-thiophen-3-ylacetamide Traditional Name: N-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-N-butyl-2-(3-thienyl)acetamide Formula: C21H24N4O3S MolecularWeight: 412.50526

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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)CC3=CSC=C3

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CC3=CSC=C3

InChI

InChI=1S/C21H24N4O3S/c1-2-3-10-24(17(26)12-16-9-11-29-14-16)18-19(22)25(21(28)23-20(18)27)13-15-7-5-4-6-8-15/h4-9,11,14H,2-3,10,12-13,22H2,1H3,(H,23,27,28)