diethyl 2-[[4-[(2-azanyl-4-sulfanylidene-1H-pteridin-6-yl)methyl-methyl-amino]phenyl]carbonylamino]pentanedioate

Systemtic Name: diethyl 2-[[4-[(2-azanyl-4-sulfanylidene-1H-pteridin-6-yl)methyl-methyl-amino]phenyl]carbonylamino]pentanedioate Openeye Name: diethyl 2-[[4-[(2-amino-4-thioxo-1H-pteridin-6-yl)methyl-methyl-amino]benzoyl]amino]pentanedioate CAS Name: 2-[[[4-[(2-amino-4-sulfanylidene-1H-pteridin-6-yl)methyl-methylamino]phenyl]-oxomethyl]amino]pentanedioic acid diethyl ester IUPAC Name: diethyl 2-[[4-[(2-amino-4-sulfanylidene-1H-pteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioate Traditional Name: 2-[[4-[(2-amino-4-thioxo-1H-pteridin-6-yl)methyl-methyl-amino]benzoyl]amino]glutaric acid diethyl ester Formula: C24H29N7O5S MolecularWeight: 527.59596

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)N(C)CC2=CN=C3C(=N2)C(=S)N=C(N3)N

Isomeric SMILES

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)N(C)CC2=CN=C3C(=N2)C(=S)N=C(N3)N

InChI

InChI=1S/C24H29N7O5S/c1-4-35-18(32)11-10-17(23(34)36-5-2)28-21(33)14-6-8-16(9-7-14)31(3)13-15-12-26-20-19(27-15)22(37)30-24(25)29-20/h6-9,12,17H,4-5,10-11,13H2,1-3H3,(H,28,33)(H3,25,26,29,30,37)