2-[3-(furan-2-ylmethyl)-4-oxidanylidene-pteridin-2-yl]sulfanyl-N-(4-methylphenyl)ethanamide

Systemtic Name: 2-[3-(furan-2-ylmethyl)-4-oxidanylidene-pteridin-2-yl]sulfanyl-N-(4-methylphenyl)ethanamide Openeye Name: 2-[3-(2-furylmethyl)-4-oxo-pteridin-2-yl]sulfanyl-N-(p-tolyl)acetamide CAS Name: 2-[[3-(2-furanylmethyl)-4-oxo-2-pteridinyl]thio]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[3-(furan-2-ylmethyl)-4-oxopteridin-2-yl]sulfanyl-N-(4-methylphenyl)acetamide Traditional Name: 2-[[3-(2-furfuryl)-4-keto-pteridin-2-yl]thio]-N-(p-tolyl)acetamide Formula: C20H17N5O3S MolecularWeight: 407.44568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC2=NC3=NC=CN=C3C(=O)N2CC4=CC=CO4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC2=NC3=NC=CN=C3C(=O)N2CC4=CC=CO4

InChI

InChI=1S/C20H17N5O3S/c1-13-4-6-14(7-5-13)23-16(26)12-29-20-24-18-17(21-8-9-22-18)19(27)25(20)11-15-3-2-10-28-15/h2-10H,11-12H2,1H3,(H,23,26)