4-[[2,4-bis(azanyl)pteridin-6-yl]methyl]-2,3-dihydro-1,4-benzoxazine-7-carboxylic acid

Systemtic Name: 4-[[2,4-bis(azanyl)pteridin-6-yl]methyl]-2,3-dihydro-1,4-benzoxazine-7-carboxylic acid Openeye Name: 4-[(2,4-diaminopteridin-6-yl)methyl]-2,3-dihydro-1,4-benzoxazine-7-carboxylic acid CAS Name: 4-[(2,4-diamino-6-pteridinyl)methyl]-2,3-dihydro-1,4-benzoxazine-7-carboxylic acid IUPAC Name: 4-[(2,4-diaminopteridin-6-yl)methyl]-2,3-dihydro-1,4-benzoxazine-7-carboxylic acid Traditional Name: 4-[(2,4-diaminopteridin-6-yl)methyl]-2,3-dihydro-1,4-benzoxazine-7-carboxylic acid Formula: C16H15N7O3 MolecularWeight: 353.3354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(N1CC3=CN=C4C(=N3)C(=NC(=N4)N)N)C=CC(=C2)C(=O)O

Isomeric SMILES

C1COC2=C(N1CC3=CN=C4C(=N3)C(=NC(=N4)N)N)C=CC(=C2)C(=O)O

InChI

InChI=1S/C16H15N7O3/c17-13-12-14(22-16(18)21-13)19-6-9(20-12)7-23-3-4-26-11-5-8(15(24)25)1-2-10(11)23/h1-2,5-6H,3-4,7H2,(H,24,25)(H4,17,18,19,21,22)