diethyl 2-[[2-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-methyl-amino]phenyl]carbonylamino]-3-ethoxy-3-oxidanylidene-propyl]sulfonylamino]pentanedioate

Systemtic Name: diethyl 2-[[2-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-methyl-amino]phenyl]carbonylamino]-3-ethoxy-3-oxidanylidene-propyl]sulfonylamino]pentanedioate Openeye Name: diethyl 2-[[2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]-3-ethoxy-3-oxo-propyl]sulfonylamino]pentanedioate CAS Name: 2-[[2-[[[4-[(2,4-diamino-6-pteridinyl)methyl-methylamino]phenyl]-oxomethyl]amino]-3-ethoxy-3-oxopropyl]sulfonylamino]pentanedioic acid diethyl ester IUPAC Name: diethyl 2-[[2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-3-ethoxy-3-oxopropyl]sulfonylamino]pentanedioate Traditional Name: 2-[[2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]-3-ethoxy-3-keto-propyl]sulfonylamino]glutaric acid diethyl ester Formula: C29H39N9O9S MolecularWeight: 689.73986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H39N9O9S/c1-5-45-22(39)13-12-20(27(41)46-6-2)37-48(43,44)16-21(28(42)47-7-3)34-26(40)17-8-10-19(11-9-17)38(4)15-18-14-32-25-23(33-18)24(30)35-29(31)36-25/h8-11,14,20-21,37H,5-7,12-13,15-16H2,1-4H3,(H,34,40)(H4,30,31,32,35,36)