2-(4-acetamidophenyl)sulfanyl-N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-N-butyl-ethanamide

Systemtic Name: 2-(4-acetamidophenyl)sulfanyl-N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-N-butyl-ethanamide Openeye Name: 2-(4-acetamidophenyl)sulfanyl-N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-N-butyl-acetamide CAS Name: 2-[(4-acetamidophenyl)thio]-N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-N-butylacetamide IUPAC Name: 2-(4-acetamidophenyl)sulfanyl-N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butylacetamide Traditional Name: 2-[(4-acetamidophenyl)thio]-N-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-N-butyl-acetamide Formula: C25H29N5O4S MolecularWeight: 495.59386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CSC3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CSC3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C25H29N5O4S/c1-3-4-14-29(21(32)16-35-20-12-10-19(11-13-20)27-17(2)31)22-23(26)30(25(34)28-24(22)33)15-18-8-6-5-7-9-18/h5-13H,3-4,14-16,26H2,1-2H3,(H,27,31)(H,28,33,34)