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

Systemtic Name: 3-hexyl-1-methyl-9-(phenylmethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Openeye Name: 9-benzyl-3-hexyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione CAS Name: 3-hexyl-1-methyl-9-(phenylmethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: 9-benzyl-3-hexyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: 9-benzyl-3-hexyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-quinone Formula: C22H29N5O2 MolecularWeight: 395.49796

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=C(N=C3N2CCCN3CC4=CC=CC=C4)N(C1=O)C

Isomeric SMILES

CCCCCCN1C(=O)C2=C(N=C3N2CCCN3CC4=CC=CC=C4)N(C1=O)C

InChI

InChI=1S/C22H29N5O2/c1-3-4-5-9-14-27-20(28)18-19(24(2)22(27)29)23-21-25(13-10-15-26(18)21)16-17-11-7-6-8-12-17/h6-8,11-12H,3-5,9-10,13-16H2,1-2H3