(3-nitrophenyl)-[9-(phenylmethyl)purin-6-yl]methanol

Systemtic Name: (3-nitrophenyl)-[9-(phenylmethyl)purin-6-yl]methanol Openeye Name: (9-benzylpurin-6-yl)-(3-nitrophenyl)methanol CAS Name: (3-nitrophenyl)-[9-(phenylmethyl)-6-purinyl]methanol IUPAC Name: (9-benzylpurin-6-yl)-(3-nitrophenyl)methanol Traditional Name: (9-benzylpurin-6-yl)-(3-nitrophenyl)methanol Formula: C19H15N5O3 MolecularWeight: 361.3541

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC3=C(N=CN=C32)C(C4=CC(=CC=C4)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3=C(N=CN=C32)C(C4=CC(=CC=C4)[N+](=O)[O-])O

InChI

InChI=1S/C19H15N5O3/c25-18(14-7-4-8-15(9-14)24(26)27)16-17-19(21-11-20-16)23(12-22-17)10-13-5-2-1-3-6-13/h1-9,11-12,18,25H,10H2