4-[[8-[(phenylmethyl)carbamoyl]-6,7-dihydropurin-1-yl]methyl]benzoic acid

Systemtic Name: 4-[[8-[(phenylmethyl)carbamoyl]-6,7-dihydropurin-1-yl]methyl]benzoic acid Openeye Name: 4-[[8-(benzylcarbamoyl)-6,7-dihydropurin-1-yl]methyl]benzoic acid CAS Name: 4-[[8-[oxo-[(phenylmethyl)amino]methyl]-6,7-dihydropurin-1-yl]methyl]benzoic acid IUPAC Name: 4-[[8-(benzylcarbamoyl)-6,7-dihydropurin-1-yl]methyl]benzoic acid Traditional Name: 4-[[8-(benzylcarbamoyl)-6,7-dihydropurin-1-yl]methyl]benzoic acid Formula: C21H19N5O3 MolecularWeight: 389.40726

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(N=CN1CC3=CC=C(C=C3)C(=O)O)N=C(N2)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

C1C2=C(N=CN1CC3=CC=C(C=C3)C(=O)O)N=C(N2)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C21H19N5O3/c27-20(22-10-14-4-2-1-3-5-14)19-24-17-12-26(13-23-18(17)25-19)11-15-6-8-16(9-7-15)21(28)29/h1-9,13H,10-12H2,(H,22,27)(H,24,25)(H,28,29)