9-methyl-7-(3-phenylpropyl)-2-piperidin-1-yl-3H-purine-6,8-dione

Systemtic Name: 9-methyl-7-(3-phenylpropyl)-2-piperidin-1-yl-3H-purine-6,8-dione Openeye Name: 9-methyl-7-(3-phenylpropyl)-2-(1-piperidyl)-3H-purine-6,8-dione CAS Name: 9-methyl-7-(3-phenylpropyl)-2-(1-piperidinyl)-3H-purine-6,8-dione IUPAC Name: 9-methyl-7-(3-phenylpropyl)-2-piperidin-1-yl-3H-purine-6,8-dione Traditional Name: 9-methyl-7-(3-phenylpropyl)-2-piperidino-3H-purine-6,8-quinone Formula: C20H25N5O2 MolecularWeight: 367.4448

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N=C(N2)N3CCCCC3)N(C1=O)CCCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N=C(N2)N3CCCCC3)N(C1=O)CCCC4=CC=CC=C4

InChI

InChI=1S/C20H25N5O2/c1-23-17-16(18(26)22-19(21-17)24-12-6-3-7-13-24)25(20(23)27)14-8-11-15-9-4-2-5-10-15/h2,4-5,9-10H,3,6-8,11-14H2,1H3,(H,21,22,26)