N-[(1R)-1-(3-methylphenyl)-2-oxidanyl-ethyl]-4-(7H-purin-6-yl)-1H-pyrrole-2-carboxamide

Systemtic Name: N-[(1R)-1-(3-methylphenyl)-2-oxidanyl-ethyl]-4-(7H-purin-6-yl)-1H-pyrrole-2-carboxamide Openeye Name: N-[(1R)-2-hydroxy-1-(m-tolyl)ethyl]-4-(7H-purin-6-yl)-1H-pyrrole-2-carboxamide CAS Name: N-[(1R)-2-hydroxy-1-(3-methylphenyl)ethyl]-4-(7H-purin-6-yl)-1H-pyrrole-2-carboxamide IUPAC Name: N-[(1R)-2-hydroxy-1-(3-methylphenyl)ethyl]-4-(7H-purin-6-yl)-1H-pyrrole-2-carboxamide Traditional Name: N-[(1R)-2-hydroxy-1-(m-tolyl)ethyl]-4-(7H-purin-6-yl)-1H-pyrrole-2-carboxamide Formula: C19H18N6O2 MolecularWeight: 362.38522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(CO)NC(=O)C2=CC(=CN2)C3=C4C(=NC=N3)N=CN4

Isomeric SMILES

CC1=CC(=CC=C1)[C@H](CO)NC(=O)C2=CC(=CN2)C3=C4C(=NC=N3)N=CN4

InChI

InChI=1S/C19H18N6O2/c1-11-3-2-4-12(5-11)15(8-26)25-19(27)14-6-13(7-20-14)16-17-18(23-9-21-16)24-10-22-17/h2-7,9-10,15,20,26H,8H2,1H3,(H,25,27)(H,21,22,23,24)/t15-/m0/s1