(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methyl 2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: (2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methyl 2-(phenylmethoxycarbonylamino)propanoate Openeye Name: (2-amino-4-oxo-1H-pteridin-6-yl)methyl 2-(benzyloxycarbonylamino)propanoate CAS Name: 2-(phenylmethoxycarbonylamino)propanoic acid (2-amino-4-oxo-1H-pteridin-6-yl)methyl ester IUPAC Name: (2-amino-4-oxo-1H-pteridin-6-yl)methyl 2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-(benzyloxycarbonylamino)propionic acid (2-amino-4-keto-1H-pteridin-6-yl)methyl ester Formula: C18H18N6O5 MolecularWeight: 398.37272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=CN=C2C(=N1)C(=O)N=C(N2)N)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)OCC1=CN=C2C(=N1)C(=O)N=C(N2)N)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C18H18N6O5/c1-10(21-18(27)29-8-11-5-3-2-4-6-11)16(26)28-9-12-7-20-14-13(22-12)15(25)24-17(19)23-14/h2-7,10H,8-9H2,1H3,(H,21,27)(H3,19,20,23,24,25)