1-methyl-3-(3-oxidanylpropyl)-9-(phenylmethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione

Systemtic Name: 1-methyl-3-(3-oxidanylpropyl)-9-(phenylmethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Openeye Name: 9-benzyl-3-(3-hydroxypropyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione CAS Name: 3-(3-hydroxypropyl)-1-methyl-9-(phenylmethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: 9-benzyl-3-(3-hydroxypropyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: 9-benzyl-3-(3-hydroxypropyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-quinone Formula: C19H23N5O3 MolecularWeight: 369.41762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CCCO)N3CCCN(C3=N2)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CCCO)N3CCCN(C3=N2)CC4=CC=CC=C4

InChI

InChI=1S/C19H23N5O3/c1-21-16-15(17(26)24(19(21)27)11-6-12-25)23-10-5-9-22(18(23)20-16)13-14-7-3-2-4-8-14/h2-4,7-8,25H,5-6,9-13H2,1H3