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

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-2-cyclopentylsulfanyl-N-propyl-ethanamide Openeye Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-2-cyclopentylsulfanyl-N-propyl-acetamide CAS Name: N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-2-(cyclopentylthio)-N-propylacetamide IUPAC Name: N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-cyclopentylsulfanyl-N-propylacetamide Traditional Name: N-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-2-(cyclopentylthio)-N-propyl-acetamide Formula: C21H28N4O3S MolecularWeight: 416.53702

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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)CSC3CCCC3

Isomeric SMILES

CCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CSC3CCCC3

InChI

InChI=1S/C21H28N4O3S/c1-2-12-24(17(26)14-29-16-10-6-7-11-16)18-19(22)25(21(28)23-20(18)27)13-15-8-4-3-5-9-15/h3-5,8-9,16H,2,6-7,10-14,22H2,1H3,(H,23,27,28)