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

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-N-(2-methoxyethyl)-2-pyridin-2-ylsulfanyl-ethanamide Openeye Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-N-(2-methoxyethyl)-2-(2-pyridylsulfanyl)acetamide CAS Name: N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-N-(2-methoxyethyl)-2-(2-pyridinylthio)acetamide IUPAC Name: N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-2-pyridin-2-ylsulfanylacetamide Traditional Name: N-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-N-(2-methoxyethyl)-2-(2-pyridylthio)acetamide Formula: C21H23N5O4S MolecularWeight: 441.50342

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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)CSC3=CC=CC=N3

Isomeric SMILES

COCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CSC3=CC=CC=N3

InChI

InChI=1S/C21H23N5O4S/c1-30-12-11-25(17(27)14-31-16-9-5-6-10-23-16)18-19(22)26(21(29)24-20(18)28)13-15-7-3-2-4-8-15/h2-10H,11-14,22H2,1H3,(H,24,28,29)