N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-2-butylsulfanyl-N-(3-methylbutyl)ethanamide

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-2-butylsulfanyl-N-(3-methylbutyl)ethanamide Openeye Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-2-butylsulfanyl-N-isopentyl-acetamide CAS Name: N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-2-(butylthio)-N-(3-methylbutyl)acetamide IUPAC Name: N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-butylsulfanyl-N-(3-methylbutyl)acetamide Traditional Name: N-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-2-(butylthio)-N-isoamyl-acetamide Formula: C22H32N4O3S MolecularWeight: 432.57948

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC(=O)N(CCC(C)C)C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N

Isomeric SMILES

CCCCSCC(=O)N(CCC(C)C)C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N

InChI

InChI=1S/C22H32N4O3S/c1-4-5-13-30-15-18(27)25(12-11-16(2)3)19-20(23)26(22(29)24-21(19)28)14-17-9-7-6-8-10-17/h6-10,16H,4-5,11-15,23H2,1-3H3,(H,24,28,29)