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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-(4-ethoxyphenyl)sulfanyl-N-propyl-ethanamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-2-(4-ethoxyphenyl)sulfanyl-N-propyl-acetamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-2-[(4-ethoxyphenyl)thio]-N-propylacetamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-ethoxyphenyl)sulfanyl-N-propylacetamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-2-(p-phenetylthio)-N-propyl-acetamide Formula: C21H30N4O4S MolecularWeight: 434.5523

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CCC)C(=O)CSC2=CC=C(C=C2)OCC)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CCC)C(=O)CSC2=CC=C(C=C2)OCC)N

InChI

InChI=1S/C21H30N4O4S/c1-4-7-13-25-19(22)18(20(27)23-21(25)28)24(12-5-2)17(26)14-30-16-10-8-15(9-11-16)29-6-3/h8-11H,4-7,12-14,22H2,1-3H3,(H,23,27,28)