3-methyl-1-(2-oxidanylpropyl)-9-(phenylmethyl)-8-[(phenylmethyl)amino]-4,5-dihydropurine-2,6-dione

Systemtic Name: 3-methyl-1-(2-oxidanylpropyl)-9-(phenylmethyl)-8-[(phenylmethyl)amino]-4,5-dihydropurine-2,6-dione Openeye Name: 9-benzyl-8-(benzylamino)-1-(2-hydroxypropyl)-3-methyl-4,5-dihydropurine-2,6-dione CAS Name: 1-(2-hydroxypropyl)-3-methyl-9-(phenylmethyl)-8-[(phenylmethyl)amino]-4,5-dihydropurine-2,6-dione IUPAC Name: 9-benzyl-8-(benzylamino)-1-(2-hydroxypropyl)-3-methyl-4,5-dihydropurine-2,6-dione Traditional Name: 9-benzyl-8-(benzylamino)-1-(2-hydroxypropyl)-3-methyl-4,5-dihydropurine-2,6-quinone Formula: C23H27N5O3 MolecularWeight: 421.49218

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C(=O)C2C(N(C1=O)C)N(C(=N2)NCC3=CC=CC=C3)CC4=CC=CC=C4)O

Isomeric SMILES

CC(CN1C(=O)C2C(N(C1=O)C)N(C(=N2)NCC3=CC=CC=C3)CC4=CC=CC=C4)O

InChI

InChI=1S/C23H27N5O3/c1-16(29)14-28-21(30)19-20(26(2)23(28)31)27(15-18-11-7-4-8-12-18)22(25-19)24-13-17-9-5-3-6-10-17/h3-12,16,19-20,29H,13-15H2,1-2H3,(H,24,25)