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

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-N-propyl-2-thiophen-3-yl-ethanamide Openeye Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-N-propyl-2-(3-thienyl)acetamide CAS Name: N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-N-propyl-2-(3-thiophenyl)acetamide IUPAC Name: N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-propyl-2-thiophen-3-ylacetamide Traditional Name: N-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-N-propyl-2-(3-thienyl)acetamide Formula: C20H22N4O3S MolecularWeight: 398.47868

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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)CC3=CSC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O3S/c1-2-9-23(16(25)11-15-8-10-28-13-15)17-18(21)24(20(27)22-19(17)26)12-14-6-4-3-5-7-14/h3-8,10,13H,2,9,11-12,21H2,1H3,(H,22,26,27)