1-[[2,4-bis(azanyl)pteridin-6-yl]methyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid

Systemtic Name: 1-[[2,4-bis(azanyl)pteridin-6-yl]methyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid Openeye Name: 1-[(2,4-diaminopteridin-6-yl)methyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid CAS Name: 1-[(2,4-diamino-6-pteridinyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid IUPAC Name: 1-[(2,4-diaminopteridin-6-yl)methyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid Traditional Name: 1-[(2,4-diaminopteridin-6-yl)methyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid Formula: C17H17N7O2 MolecularWeight: 351.36258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)C(=O)O)N(C1)CC3=CN=C4C(=N3)C(=NC(=N4)N)N

Isomeric SMILES

C1CC2=C(C=CC(=C2)C(=O)O)N(C1)CC3=CN=C4C(=N3)C(=NC(=N4)N)N

InChI

InChI=1S/C17H17N7O2/c18-14-13-15(23-17(19)22-14)20-7-11(21-13)8-24-5-1-2-9-6-10(16(25)26)3-4-12(9)24/h3-4,6-7H,1-2,5,8H2,(H,25,26)(H4,18,19,20,22,23)