4-[[2,4-bis(azanyl)-7-[(4-methylphenyl)amino]pteridin-6-yl]methyl-methyl-amino]benzoate

Systemtic Name: 4-[[2,4-bis(azanyl)-7-[(4-methylphenyl)amino]pteridin-6-yl]methyl-methyl-amino]benzoate Openeye Name: 4-[[2,4-diamino-7-(4-methylanilino)pteridin-6-yl]methyl-methyl-amino]benzoate CAS Name: 4-[[2,4-diamino-7-(4-methylanilino)-6-pteridinyl]methyl-methylamino]benzoate IUPAC Name: 4-[[2,4-diamino-7-(4-methylanilino)pteridin-6-yl]methyl-methylamino]benzoate Traditional Name: 4-[[2,4-diamino-7-(p-toluidino)pteridin-6-yl]methyl-methyl-amino]benzoate Formula: C22H21N8O2- MolecularWeight: 429.45454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC3=C(C(=NC(=N3)N)N)N=C2CN(C)C4=CC=C(C=C4)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC3=C(C(=NC(=N3)N)N)N=C2CN(C)C4=CC=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C22H22N8O2/c1-12-3-7-14(8-4-12)25-19-16(26-17-18(23)27-22(24)29-20(17)28-19)11-30(2)15-9-5-13(6-10-15)21(31)32/h3-10H,11H2,1-2H3,(H,31,32)(H5,23,24,25,27,28,29)/p-1