[5-azanyl-2-[[2,4-bis(azanyl)pteridin-6-yl]methyl-methylsulfonyl-amino]-5-oxidanylidene-pentanoyl] 2,3-dihydro-1H-indole-5-carboxylate

Systemtic Name: [5-azanyl-2-[[2,4-bis(azanyl)pteridin-6-yl]methyl-methylsulfonyl-amino]-5-oxidanylidene-pentanoyl] 2,3-dihydro-1H-indole-5-carboxylate Openeye Name: [5-amino-2-[(2,4-diaminopteridin-6-yl)methyl-methylsulfonyl-amino]-5-oxo-pentanoyl] indoline-5-carboxylate CAS Name: 2,3-dihydro-1H-indole-5-carboxylic acid [5-amino-2-[(2,4-diamino-6-pteridinyl)methyl-methylsulfonylamino]-1,5-dioxopentyl] ester IUPAC Name: [5-amino-2-[(2,4-diaminopteridin-6-yl)methyl-methylsulfonylamino]-5-oxopentanoyl] 2,3-dihydro-1H-indole-5-carboxylate Traditional Name: indoline-5-carboxylic acid [5-amino-2-[(2,4-diaminopteridin-6-yl)methyl-mesyl-amino]-5-keto-pentanoyl] ester Formula: C22H25N9O6S MolecularWeight: 543.5556

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C(CCC(=O)N)C(=O)OC(=O)C3=CC4=C(C=C3)NCC4

Isomeric SMILES

CS(=O)(=O)N(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C(CCC(=O)N)C(=O)OC(=O)C3=CC4=C(C=C3)NCC4

InChI

InChI=1S/C22H25N9O6S/c1-38(35,36)31(10-13-9-27-19-17(28-13)18(24)29-22(25)30-19)15(4-5-16(23)32)21(34)37-20(33)12-2-3-14-11(8-12)6-7-26-14/h2-3,8-9,15,26H,4-7,10H2,1H3,(H2,23,32)(H4,24,25,27,29,30)