N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-(furan-2-ylmethyl)-2-phenylsulfanyl-propanamide

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-(furan-2-ylmethyl)-2-phenylsulfanyl-propanamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-(2-furylmethyl)-2-phenylsulfanyl-propanamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-N-(2-furanylmethyl)-2-(phenylthio)propanamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-2-phenylsulfanylpropanamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-(2-furfuryl)-2-(phenylthio)propionamide Formula: C22H26N4O4S MolecularWeight: 442.53124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CO2)C(=O)C(C)SC3=CC=CC=C3)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CO2)C(=O)C(C)SC3=CC=CC=C3)N

InChI

InChI=1S/C22H26N4O4S/c1-3-4-12-25-19(23)18(20(27)24-22(25)29)26(14-16-9-8-13-30-16)21(28)15(2)31-17-10-6-5-7-11-17/h5-11,13,15H,3-4,12,14,23H2,1-2H3,(H,24,27,29)