dimethyl 2-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl]-2,3-dihydro-1,4-benzothiazin-7-yl]carbonylamino]hexanedioate

Systemtic Name: dimethyl 2-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl]-2,3-dihydro-1,4-benzothiazin-7-yl]carbonylamino]hexanedioate Openeye Name: dimethyl 2-[[4-[(2,4-diaminopteridin-6-yl)methyl]-2,3-dihydro-1,4-benzothiazine-7-carbonyl]amino]hexanedioate CAS Name: 2-[[[4-[(2,4-diamino-6-pteridinyl)methyl]-2,3-dihydro-1,4-benzothiazin-7-yl]-oxomethyl]amino]hexanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[[4-[(2,4-diaminopteridin-6-yl)methyl]-2,3-dihydro-1,4-benzothiazine-7-carbonyl]amino]hexanedioate Traditional Name: 2-[[4-[(2,4-diaminopteridin-6-yl)methyl]-2,3-dihydro-1,4-benzothiazine-7-carbonyl]amino]adipic acid dimethyl ester Formula: C24H28N8O5S MolecularWeight: 540.59472

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC(C(=O)OC)NC(=O)C1=CC2=C(C=C1)N(CCS2)CC3=CN=C4C(=N3)C(=NC(=N4)N)N

Isomeric SMILES

COC(=O)CCCC(C(=O)OC)NC(=O)C1=CC2=C(C=C1)N(CCS2)CC3=CN=C4C(=N3)C(=NC(=N4)N)N

InChI

InChI=1S/C24H28N8O5S/c1-36-18(33)5-3-4-15(23(35)37-2)29-22(34)13-6-7-16-17(10-13)38-9-8-32(16)12-14-11-27-21-19(28-14)20(25)30-24(26)31-21/h6-7,10-11,15H,3-5,8-9,12H2,1-2H3,(H,29,34)(H4,25,26,27,30,31)