3-methyl-8-[(phenylmethyl)amino]-7-propan-2-yl-purine-2,6-dione

Systemtic Name: 3-methyl-8-[(phenylmethyl)amino]-7-propan-2-yl-purine-2,6-dione Openeye Name: 8-(benzylamino)-7-isopropyl-3-methyl-purine-2,6-dione CAS Name: 3-methyl-8-[(phenylmethyl)amino]-7-propan-2-ylpurine-2,6-dione IUPAC Name: 8-(benzylamino)-3-methyl-7-propan-2-ylpurine-2,6-dione Traditional Name: 8-(benzylamino)-7-isopropyl-3-methyl-xanthine Formula: C16H19N5O2 MolecularWeight: 313.35436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(N=C1NCC3=CC=CC=C3)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)N1C2=C(N=C1NCC3=CC=CC=C3)N(C(=O)NC2=O)C

InChI

InChI=1S/C16H19N5O2/c1-10(2)21-12-13(20(3)16(23)19-14(12)22)18-15(21)17-9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H,17,18)(H,19,22,23)