3-methyl-8-(pentylamino)-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 3-methyl-8-(pentylamino)-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-3-methyl-8-(pentylamino)purine-2,6-dione CAS Name: 3-methyl-8-(pentylamino)-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-3-methyl-8-(pentylamino)purine-2,6-dione Traditional Name: 8-(amylamino)-7-benzyl-3-methyl-xanthine Formula: C18H23N5O2 MolecularWeight: 341.40752

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC1=NC2=C(N1CC3=CC=CC=C3)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCCNC1=NC2=C(N1CC3=CC=CC=C3)C(=O)NC(=O)N2C

InChI

InChI=1S/C18H23N5O2/c1-3-4-8-11-19-17-20-15-14(16(24)21-18(25)22(15)2)23(17)12-13-9-6-5-7-10-13/h5-7,9-10H,3-4,8,11-12H2,1-2H3,(H,19,20)(H,21,24,25)