ethyl 4-[4-azanyl-2-butylsulfanyl-6,7-bis(oxidanylidene)-4,5-dihydro-1H-pteridin-8-yl]-5-methyl-cyclohexa-1,3-diene-1-carboxylate

Systemtic Name: ethyl 4-[4-azanyl-2-butylsulfanyl-6,7-bis(oxidanylidene)-4,5-dihydro-1H-pteridin-8-yl]-5-methyl-cyclohexa-1,3-diene-1-carboxylate Openeye Name: ethyl 4-(4-amino-2-butylsulfanyl-6,7-dioxo-4,5-dihydro-1H-pteridin-8-yl)-5-methyl-cyclohexa-1,3-diene-1-carboxylate CAS Name: 4-[4-amino-2-(butylthio)-6,7-dioxo-4,5-dihydro-1H-pteridin-8-yl]-5-methyl-1-cyclohexa-1,3-dienecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-amino-2-butylsulfanyl-6,7-dioxo-4,5-dihydro-1H-pteridin-8-yl)-5-methylcyclohexa-1,3-diene-1-carboxylate Traditional Name: 4-[4-amino-2-(butylthio)-6,7-diketo-4,5-dihydro-1H-pteridin-8-yl]-5-methyl-cyclohexa-1,3-diene-1-carboxylic acid ethyl ester Formula: C20H27N5O4S MolecularWeight: 433.52448

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC(C2=C(N1)N(C(=O)C(=O)N2)C3=CC=C(CC3C)C(=O)OCC)N

Isomeric SMILES

CCCCSC1=NC(C2=C(N1)N(C(=O)C(=O)N2)C3=CC=C(CC3C)C(=O)OCC)N

InChI

InChI=1S/C20H27N5O4S/c1-4-6-9-30-20-23-15(21)14-16(24-20)25(18(27)17(26)22-14)13-8-7-12(10-11(13)3)19(28)29-5-2/h7-8,11,15H,4-6,9-10,21H2,1-3H3,(H,22,26)(H,23,24)