4,7-dimethyl-6-(4-phenoxyphenyl)-2-(2-piperidin-1-ylethyl)purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 4,7-dimethyl-6-(4-phenoxyphenyl)-2-(2-piperidin-1-ylethyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 4,7-dimethyl-6-(4-phenoxyphenyl)-2-[2-(1-piperidyl)ethyl]purino[7,8-a]imidazole-1,3-dione CAS Name: 4,7-dimethyl-6-(4-phenoxyphenyl)-2-[2-(1-piperidinyl)ethyl]purino[7,8-a]imidazole-1,3-dione IUPAC Name: 4,7-dimethyl-6-(4-phenoxyphenyl)-2-(2-piperidin-1-ylethyl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 4,7-dimethyl-6-(4-phenoxyphenyl)-2-(2-piperidinoethyl)purin[7,8-a]imidazole-1,3-quinone Formula: C28H30N6O3 MolecularWeight: 498.5762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C3=C(N=C2N1C4=CC=C(C=C4)OC5=CC=CC=C5)N(C(=O)N(C3=O)CCN6CCCCC6)C

Isomeric SMILES

CC1=CN2C3=C(N=C2N1C4=CC=C(C=C4)OC5=CC=CC=C5)N(C(=O)N(C3=O)CCN6CCCCC6)C

InChI

InChI=1S/C28H30N6O3/c1-20-19-33-24-25(30(2)28(36)32(26(24)35)18-17-31-15-7-4-8-16-31)29-27(33)34(20)21-11-13-23(14-12-21)37-22-9-5-3-6-10-22/h3,5-6,9-14,19H,4,7-8,15-18H2,1-2H3