N-cyclohexyl-2-[4-oxidanylidene-3-(phenylmethyl)pteridin-2-yl]sulfanyl-butanamide

Systemtic Name: N-cyclohexyl-2-[4-oxidanylidene-3-(phenylmethyl)pteridin-2-yl]sulfanyl-butanamide Openeye Name: 2-(3-benzyl-4-oxo-pteridin-2-yl)sulfanyl-N-cyclohexyl-butanamide CAS Name: N-cyclohexyl-2-[[4-oxo-3-(phenylmethyl)-2-pteridinyl]thio]butanamide IUPAC Name: 2-(3-benzyl-4-oxopteridin-2-yl)sulfanyl-N-cyclohexylbutanamide Traditional Name: 2-[(3-benzyl-4-keto-pteridin-2-yl)thio]-N-cyclohexyl-butyramide Formula: C23H27N5O2S MolecularWeight: 437.55778

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1CCCCC1)SC2=NC3=NC=CN=C3C(=O)N2CC4=CC=CC=C4

Isomeric SMILES

CCC(C(=O)NC1CCCCC1)SC2=NC3=NC=CN=C3C(=O)N2CC4=CC=CC=C4

InChI

InChI=1S/C23H27N5O2S/c1-2-18(21(29)26-17-11-7-4-8-12-17)31-23-27-20-19(24-13-14-25-20)22(30)28(23)15-16-9-5-3-6-10-16/h3,5-6,9-10,13-14,17-18H,2,4,7-8,11-12,15H2,1H3,(H,26,29)