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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=C(N1)C=CC(=C2)C(=O)O)CC3=CN=C4C(=N3)C(=NC(=N4)N)N

Isomeric SMILES

C1C(OC2=C(N1)C=CC(=C2)C(=O)O)CC3=CN=C4C(=N3)C(=NC(=N4)N)N

InChI

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