diethyl 2-[[4-[(2-acetamido-4-methylsulfanyl-pteridin-6-yl)methyl-methyl-amino]phenyl]carbonylamino]pentanedioate

Systemtic Name: diethyl 2-[[4-[(2-acetamido-4-methylsulfanyl-pteridin-6-yl)methyl-methyl-amino]phenyl]carbonylamino]pentanedioate Openeye Name: diethyl 2-[[4-[(2-acetamido-4-methylsulfanyl-pteridin-6-yl)methyl-methyl-amino]benzoyl]amino]pentanedioate CAS Name: 2-[[[4-[[2-acetamido-4-(methylthio)-6-pteridinyl]methyl-methylamino]phenyl]-oxomethyl]amino]pentanedioic acid diethyl ester IUPAC Name: diethyl 2-[[4-[(2-acetamido-4-methylsulfanylpteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioate Traditional Name: 2-[[4-[[2-acetamido-4-(methylthio)pteridin-6-yl]methyl-methyl-amino]benzoyl]amino]glutaric acid diethyl ester Formula: C27H33N7O6S MolecularWeight: 583.65922

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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(=NC(=N3)NC(=O)C)SC

Isomeric SMILES

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

InChI

InChI=1S/C27H33N7O6S/c1-6-39-21(36)13-12-20(26(38)40-7-2)31-24(37)17-8-10-19(11-9-17)34(4)15-18-14-28-23-22(30-18)25(41-5)33-27(32-23)29-16(3)35/h8-11,14,20H,6-7,12-13,15H2,1-5H3,(H,31,37)(H,28,29,32,33,35)