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

Systemtic Name: 2-[[2,4-bis(azanyl)pteridin-6-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine-7-carbaldehyde Openeye Name: 2-[(2,4-diaminopteridin-6-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-7-carbaldehyde CAS Name: 2-[(2,4-diamino-6-pteridinyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-7-carboxaldehyde IUPAC Name: 2-[(2,4-diaminopteridin-6-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-7-carbaldehyde Traditional Name: 2-[(2,4-diaminopteridin-6-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-7-carbaldehyde Formula: C16H15N7O2 MolecularWeight: 337.336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N7O2/c17-14-13-15(23-16(18)22-14)20-5-9(21-13)4-10-6-19-11-2-1-8(7-24)3-12(11)25-10/h1-3,5,7,10,19H,4,6H2,(H4,17,18,20,22,23)