4-[[2,4-bis(azanyl)-7-phenylazanyl-pteridin-6-yl]methyl-methyl-amino]benzoic acid

Systemtic Name: 4-[[2,4-bis(azanyl)-7-phenylazanyl-pteridin-6-yl]methyl-methyl-amino]benzoic acid Openeye Name: 4-[(2,4-diamino-7-anilino-pteridin-6-yl)methyl-methyl-amino]benzoic acid CAS Name: 4-[(2,4-diamino-7-anilino-6-pteridinyl)methyl-methylamino]benzoic acid IUPAC Name: 4-[(2,4-diamino-7-anilinopteridin-6-yl)methyl-methylamino]benzoic acid Traditional Name: 4-[(2,4-diamino-7-anilino-pteridin-6-yl)methyl-methyl-amino]benzoic acid Formula: C21H20N8O2 MolecularWeight: 416.4359

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=C(N=C1NC3=CC=CC=C3)N=C(N=C2N)N)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CN(CC1=NC2=C(N=C1NC3=CC=CC=C3)N=C(N=C2N)N)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C21H20N8O2/c1-29(14-9-7-12(8-10-14)20(30)31)11-15-18(24-13-5-3-2-4-6-13)27-19-16(25-15)17(22)26-21(23)28-19/h2-10H,11H2,1H3,(H,30,31)(H5,22,23,24,26,27,28)