4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-methyl-amino]-3,5-dimethyl-benzoic acid

Systemtic Name: 4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-methyl-amino]-3,5-dimethyl-benzoic acid Openeye Name: 4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]-3,5-dimethyl-benzoic acid CAS Name: 4-[(2,4-diamino-6-pteridinyl)methyl-methylamino]-3,5-dimethylbenzoic acid IUPAC Name: 4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]-3,5-dimethylbenzoic acid Traditional Name: 4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]-3,5-dimethyl-benzoic acid Formula: C17H19N7O2 MolecularWeight: 353.37846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1N(C)CC2=CN=C3C(=N2)C(=NC(=N3)N)N)C)C(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1N(C)CC2=CN=C3C(=N2)C(=NC(=N3)N)N)C)C(=O)O

InChI

InChI=1S/C17H19N7O2/c1-8-4-10(16(25)26)5-9(2)13(8)24(3)7-11-6-20-15-12(21-11)14(18)22-17(19)23-15/h4-6H,7H2,1-3H3,(H,25,26)(H4,18,19,20,22,23)