(phenylmethyl) N-[4-[(6-azanylpyrimidin-4-yl)amino]phenyl]carbamate

Systemtic Name: (phenylmethyl) N-[4-[(6-azanylpyrimidin-4-yl)amino]phenyl]carbamate Openeye Name: benzyl N-[4-[(6-aminopyrimidin-4-yl)amino]phenyl]carbamate CAS Name: N-[4-[(6-amino-4-pyrimidinyl)amino]phenyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[4-[(6-aminopyrimidin-4-yl)amino]phenyl]carbamate Traditional Name: N-[4-[(6-aminopyrimidin-4-yl)amino]phenyl]carbamic acid benzyl ester Formula: C18H17N5O2 MolecularWeight: 335.35988

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC2=CC=C(C=C2)NC3=NC=NC(=C3)N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC2=CC=C(C=C2)NC3=NC=NC(=C3)N

InChI

InChI=1S/C18H17N5O2/c19-16-10-17(21-12-20-16)22-14-6-8-15(9-7-14)23-18(24)25-11-13-4-2-1-3-5-13/h1-10,12H,11H2,(H,23,24)(H3,19,20,21,22)