8-(azepan-1-yl)-1,3-dimethyl-7-(1-phenylethyl)purine-2,6-dione

Systemtic Name: 8-(azepan-1-yl)-1,3-dimethyl-7-(1-phenylethyl)purine-2,6-dione Openeye Name: 8-(azepan-1-yl)-1,3-dimethyl-7-(1-phenylethyl)purine-2,6-dione CAS Name: 8-(1-azepanyl)-1,3-dimethyl-7-(1-phenylethyl)purine-2,6-dione IUPAC Name: 8-(azepan-1-yl)-1,3-dimethyl-7-(1-phenylethyl)purine-2,6-dione Traditional Name: 8-(azepan-1-yl)-1,3-dimethyl-7-(1-phenylethyl)xanthine Formula: C21H27N5O2 MolecularWeight: 381.47138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2C3=C(N=C2N4CCCCCC4)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC(C1=CC=CC=C1)N2C3=C(N=C2N4CCCCCC4)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C21H27N5O2/c1-15(16-11-7-6-8-12-16)26-17-18(23(2)21(28)24(3)19(17)27)22-20(26)25-13-9-4-5-10-14-25/h6-8,11-12,15H,4-5,9-10,13-14H2,1-3H3