2-[[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-pentyl-amino]-N-(3-methylsulfanylphenyl)ethanamide

Systemtic Name: 2-[[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-pentyl-amino]-N-(3-methylsulfanylphenyl)ethanamide Openeye Name: 2-[(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-pentyl-amino]-N-(3-methylsulfanylphenyl)acetamide CAS Name: 2-[(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-pentylamino]-N-[3-(methylthio)phenyl]acetamide IUPAC Name: 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-pentylamino]-N-(3-methylsulfanylphenyl)acetamide Traditional Name: 2-[(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-amyl-amino]-N-[3-(methylthio)phenyl]acetamide Formula: C22H33N5O3S MolecularWeight: 447.59412

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CC(=O)NC1=CC(=CC=C1)SC)C2=C(N(C(=O)NC2=O)CCCC)N

Isomeric SMILES

CCCCCN(CC(=O)NC1=CC(=CC=C1)SC)C2=C(N(C(=O)NC2=O)CCCC)N

InChI

InChI=1S/C22H33N5O3S/c1-4-6-8-12-26(15-18(28)24-16-10-9-11-17(14-16)31-3)19-20(23)27(13-7-5-2)22(30)25-21(19)29/h9-11,14H,4-8,12-13,15,23H2,1-3H3,(H,24,28)(H,25,29,30)