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

Systemtic Name: 2-[3-[(2-chlorophenyl)methyl]-4-oxidanylidene-pteridin-2-yl]sulfanyl-N-(4-ethylphenyl)butanamide Openeye Name: 2-[3-[(2-chlorophenyl)methyl]-4-oxo-pteridin-2-yl]sulfanyl-N-(4-ethylphenyl)butanamide CAS Name: 2-[[3-[(2-chlorophenyl)methyl]-4-oxo-2-pteridinyl]thio]-N-(4-ethylphenyl)butanamide IUPAC Name: 2-[3-[(2-chlorophenyl)methyl]-4-oxopteridin-2-yl]sulfanyl-N-(4-ethylphenyl)butanamide Traditional Name: 2-[[3-(2-chlorobenzyl)-4-keto-pteridin-2-yl]thio]-N-(4-ethylphenyl)butyramide Formula: C25H24ClN5O2S MolecularWeight: 494.00836

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(CC)SC2=NC3=NC=CN=C3C(=O)N2CC4=CC=CC=C4Cl

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C(CC)SC2=NC3=NC=CN=C3C(=O)N2CC4=CC=CC=C4Cl

InChI

InChI=1S/C25H24ClN5O2S/c1-3-16-9-11-18(12-10-16)29-23(32)20(4-2)34-25-30-22-21(27-13-14-28-22)24(33)31(25)15-17-7-5-6-8-19(17)26/h5-14,20H,3-4,15H2,1-2H3,(H,29,32)