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

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-2-cyclopentylsulfanyl-N-(2-methoxyethyl)ethanamide Openeye Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-2-cyclopentylsulfanyl-N-(2-methoxyethyl)acetamide CAS Name: N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-2-(cyclopentylthio)-N-(2-methoxyethyl)acetamide IUPAC Name: N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-cyclopentylsulfanyl-N-(2-methoxyethyl)acetamide Traditional Name: N-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-2-(cyclopentylthio)-N-(2-methoxyethyl)acetamide Formula: C21H28N4O4S MolecularWeight: 432.53642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O4S/c1-29-12-11-24(17(26)14-30-16-9-5-6-10-16)18-19(22)25(21(28)23-20(18)27)13-15-7-3-2-4-8-15/h2-4,7-8,16H,5-6,9-14,22H2,1H3,(H,23,27,28)