2-[3-[(2-chlorophenyl)methyl]-4-oxidanylidene-pteridin-2-yl]sulfanyl-N-(4-methoxyphenyl)butanamide

Systemtic Name: 2-[3-[(2-chlorophenyl)methyl]-4-oxidanylidene-pteridin-2-yl]sulfanyl-N-(4-methoxyphenyl)butanamide Openeye Name: 2-[3-[(2-chlorophenyl)methyl]-4-oxo-pteridin-2-yl]sulfanyl-N-(4-methoxyphenyl)butanamide CAS Name: 2-[[3-[(2-chlorophenyl)methyl]-4-oxo-2-pteridinyl]thio]-N-(4-methoxyphenyl)butanamide IUPAC Name: 2-[3-[(2-chlorophenyl)methyl]-4-oxopteridin-2-yl]sulfanyl-N-(4-methoxyphenyl)butanamide Traditional Name: 2-[[3-(2-chlorobenzyl)-4-keto-pteridin-2-yl]thio]-N-(4-methoxyphenyl)butyramide Formula: C24H22ClN5O3S MolecularWeight: 495.98118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)OC)SC2=NC3=NC=CN=C3C(=O)N2CC4=CC=CC=C4Cl

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)OC)SC2=NC3=NC=CN=C3C(=O)N2CC4=CC=CC=C4Cl

InChI

InChI=1S/C24H22ClN5O3S/c1-3-19(22(31)28-16-8-10-17(33-2)11-9-16)34-24-29-21-20(26-12-13-27-21)23(32)30(24)14-15-6-4-5-7-18(15)25/h4-13,19H,3,14H2,1-2H3,(H,28,31)