8-cyclopentyl-6-methyl-2-[(4-methylsulfonylphenyl)amino]pteridin-7-one

Systemtic Name: 8-cyclopentyl-6-methyl-2-[(4-methylsulfonylphenyl)amino]pteridin-7-one Openeye Name: 8-cyclopentyl-6-methyl-2-(4-methylsulfonylanilino)pteridin-7-one CAS Name: 8-cyclopentyl-6-methyl-2-(4-methylsulfonylanilino)-7-pteridinone IUPAC Name: 8-cyclopentyl-6-methyl-2-(4-methylsulfonylanilino)pteridin-7-one Traditional Name: 8-cyclopentyl-2-(4-mesylanilino)-6-methyl-pteridin-7-one Formula: C19H21N5O3S MolecularWeight: 399.46674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CN=C(N=C2N(C1=O)C3CCCC3)NC4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CC1=NC2=CN=C(N=C2N(C1=O)C3CCCC3)NC4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C19H21N5O3S/c1-12-18(25)24(14-5-3-4-6-14)17-16(21-12)11-20-19(23-17)22-13-7-9-15(10-8-13)28(2,26)27/h7-11,14H,3-6H2,1-2H3,(H,20,22,23)