N-cyclohexyl-2-(4-oxidanylidene-3-phenethyl-pteridin-2-yl)sulfanyl-butanamide

Systemtic Name: N-cyclohexyl-2-(4-oxidanylidene-3-phenethyl-pteridin-2-yl)sulfanyl-butanamide Openeye Name: N-cyclohexyl-2-(4-oxo-3-phenethyl-pteridin-2-yl)sulfanyl-butanamide CAS Name: N-cyclohexyl-2-[(4-oxo-3-phenethyl-2-pteridinyl)thio]butanamide IUPAC Name: N-cyclohexyl-2-(4-oxo-3-phenethylpteridin-2-yl)sulfanylbutanamide Traditional Name: N-cyclohexyl-2-[(4-keto-3-phenethyl-pteridin-2-yl)thio]butyramide Formula: C24H29N5O2S MolecularWeight: 451.58436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1CCCCC1)SC2=NC3=NC=CN=C3C(=O)N2CCC4=CC=CC=C4

Isomeric SMILES

CCC(C(=O)NC1CCCCC1)SC2=NC3=NC=CN=C3C(=O)N2CCC4=CC=CC=C4

InChI

InChI=1S/C24H29N5O2S/c1-2-19(22(30)27-18-11-7-4-8-12-18)32-24-28-21-20(25-14-15-26-21)23(31)29(24)16-13-17-9-5-3-6-10-17/h3,5-6,9-10,14-15,18-19H,2,4,7-8,11-13,16H2,1H3,(H,27,30)