5-[5-[(3-chlorophenyl)methyl]-4-ethyl-1-methyl-6-oxidanylidene-pyrimidin-2-yl]sulfanyl-N-(2-morpholin-4-ylethyl)pentanamide

Systemtic Name: 5-[5-[(3-chlorophenyl)methyl]-4-ethyl-1-methyl-6-oxidanylidene-pyrimidin-2-yl]sulfanyl-N-(2-morpholin-4-ylethyl)pentanamide Openeye Name: 5-[5-[(3-chlorophenyl)methyl]-4-ethyl-1-methyl-6-oxo-pyrimidin-2-yl]sulfanyl-N-(2-morpholinoethyl)pentanamide CAS Name: 5-[[5-[(3-chlorophenyl)methyl]-4-ethyl-1-methyl-6-oxo-2-pyrimidinyl]thio]-N-[2-(4-morpholinyl)ethyl]pentanamide IUPAC Name: 5-[5-[(3-chlorophenyl)methyl]-4-ethyl-1-methyl-6-oxopyrimidin-2-yl]sulfanyl-N-(2-morpholin-4-ylethyl)pentanamide Traditional Name: 5-[[5-(3-chlorobenzyl)-4-ethyl-6-keto-1-methyl-pyrimidin-2-yl]thio]-N-(2-morpholinoethyl)valeramide Formula: C25H35ClN4O3S MolecularWeight: 507.0884

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)N(C(=N1)SCCCCC(=O)NCCN2CCOCC2)C)CC3=CC(=CC=C3)Cl

Isomeric SMILES

CCC1=C(C(=O)N(C(=N1)SCCCCC(=O)NCCN2CCOCC2)C)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C25H35ClN4O3S/c1-3-22-21(18-19-7-6-8-20(26)17-19)24(32)29(2)25(28-22)34-16-5-4-9-23(31)27-10-11-30-12-14-33-15-13-30/h6-8,17H,3-5,9-16,18H2,1-2H3,(H,27,31)