4,7,8-trimethyl-2-(3-phenylpropyl)-6-prop-2-enyl-purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 4,7,8-trimethyl-2-(3-phenylpropyl)-6-prop-2-enyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-allyl-4,7,8-trimethyl-2-(3-phenylpropyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 4,7,8-trimethyl-2-(3-phenylpropyl)-6-prop-2-enylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 4,7,8-trimethyl-2-(3-phenylpropyl)-6-prop-2-enylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-allyl-4,7,8-trimethyl-2-(3-phenylpropyl)purin[7,8-a]imidazole-1,3-quinone Formula: C22H25N5O2 MolecularWeight: 391.4662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C3=C(N=C2N1CC=C)N(C(=O)N(C3=O)CCCC4=CC=CC=C4)C)C

Isomeric SMILES

CC1=C(N2C3=C(N=C2N1CC=C)N(C(=O)N(C3=O)CCCC4=CC=CC=C4)C)C

InChI

InChI=1S/C22H25N5O2/c1-5-13-25-15(2)16(3)27-18-19(23-21(25)27)24(4)22(29)26(20(18)28)14-9-12-17-10-7-6-8-11-17/h5-8,10-11H,1,9,12-14H2,2-4H3