N-[(4-methylphenyl)methyl]-2-(4-oxidanylidene-3-phenethyl-pteridin-2-yl)sulfanyl-butanamide

Systemtic Name: N-[(4-methylphenyl)methyl]-2-(4-oxidanylidene-3-phenethyl-pteridin-2-yl)sulfanyl-butanamide Openeye Name: 2-(4-oxo-3-phenethyl-pteridin-2-yl)sulfanyl-N-(p-tolylmethyl)butanamide CAS Name: N-[(4-methylphenyl)methyl]-2-[(4-oxo-3-phenethyl-2-pteridinyl)thio]butanamide IUPAC Name: N-[(4-methylphenyl)methyl]-2-(4-oxo-3-phenethylpteridin-2-yl)sulfanylbutanamide Traditional Name: 2-[(4-keto-3-phenethyl-pteridin-2-yl)thio]-N-(4-methylbenzyl)butyramide Formula: C26H27N5O2S MolecularWeight: 473.58988

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CC=C(C=C1)C)SC2=NC3=NC=CN=C3C(=O)N2CCC4=CC=CC=C4

Isomeric SMILES

CCC(C(=O)NCC1=CC=C(C=C1)C)SC2=NC3=NC=CN=C3C(=O)N2CCC4=CC=CC=C4

InChI

InChI=1S/C26H27N5O2S/c1-3-21(24(32)29-17-20-11-9-18(2)10-12-20)34-26-30-23-22(27-14-15-28-23)25(33)31(26)16-13-19-7-5-4-6-8-19/h4-12,14-15,21H,3,13,16-17H2,1-2H3,(H,29,32)