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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-pentyl-2-phenylsulfanyl-propanamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-pentyl-2-phenylsulfanyl-propanamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-N-pentyl-2-(phenylthio)propanamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-pentyl-2-phenylsulfanylpropanamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-amyl-2-(phenylthio)propionamide Formula: C22H32N4O3S MolecularWeight: 432.57948

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)C(C)SC2=CC=CC=C2

Isomeric SMILES

CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)C(C)SC2=CC=CC=C2

InChI

InChI=1S/C22H32N4O3S/c1-4-6-11-15-25(21(28)16(3)30-17-12-9-8-10-13-17)18-19(23)26(14-7-5-2)22(29)24-20(18)27/h8-10,12-13,16H,4-7,11,14-15,23H2,1-3H3,(H,24,27,29)