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

Systemtic Name: methyl 4-[[2,4-bis(azanyl)pteridin-6-yl]methyl]-2,3-dihydro-1,4-benzoxazine-7-carboxylate Openeye Name: methyl 4-[(2,4-diaminopteridin-6-yl)methyl]-2,3-dihydro-1,4-benzoxazine-7-carboxylate CAS Name: 4-[(2,4-diamino-6-pteridinyl)methyl]-2,3-dihydro-1,4-benzoxazine-7-carboxylic acid methyl ester IUPAC Name: methyl 4-[(2,4-diaminopteridin-6-yl)methyl]-2,3-dihydro-1,4-benzoxazine-7-carboxylate Traditional Name: 4-[(2,4-diaminopteridin-6-yl)methyl]-2,3-dihydro-1,4-benzoxazine-7-carboxylic acid methyl ester Formula: C17H17N7O3 MolecularWeight: 367.36198

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N(CCO2)CC3=CN=C4C(=N3)C(=NC(=N4)N)N

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N(CCO2)CC3=CN=C4C(=N3)C(=NC(=N4)N)N

InChI

InChI=1S/C17H17N7O3/c1-26-16(25)9-2-3-11-12(6-9)27-5-4-24(11)8-10-7-20-15-13(21-10)14(18)22-17(19)23-15/h2-3,6-7H,4-5,8H2,1H3,(H4,18,19,20,22,23)