8-(3-azanylpiperidin-1-yl)-3-methyl-7-(3-methylbut-2-enyl)-1-[(E)-2-phenylethenyl]-8,9-dihydropurine-2,6-dione

Systemtic Name: 8-(3-azanylpiperidin-1-yl)-3-methyl-7-(3-methylbut-2-enyl)-1-[(E)-2-phenylethenyl]-8,9-dihydropurine-2,6-dione Openeye Name: 8-(3-amino-1-piperidyl)-3-methyl-7-(3-methylbut-2-enyl)-1-[(E)-styryl]-8,9-dihydropurine-2,6-dione CAS Name: 8-(3-amino-1-piperidinyl)-3-methyl-7-(3-methylbut-2-enyl)-1-[(E)-2-phenylethenyl]-8,9-dihydropurine-2,6-dione IUPAC Name: 8-(3-aminopiperidin-1-yl)-3-methyl-7-(3-methylbut-2-enyl)-1-[(E)-2-phenylethenyl]-8,9-dihydropurine-2,6-dione Traditional Name: 8-(3-aminopiperidino)-3-methyl-7-(3-methylbut-2-enyl)-1-[(E)-styryl]-8,9-dihydropurine-2,6-quinone Formula: C24H32N6O2 MolecularWeight: 436.54988

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C(NC2=C1C(=O)N(C(=O)N2C)C=CC3=CC=CC=C3)N4CCCC(C4)N)C

Isomeric SMILES

CC(=CCN1C(NC2=C1C(=O)N(C(=O)N2C)/C=C/C3=CC=CC=C3)N4CCCC(C4)N)C

InChI

InChI=1S/C24H32N6O2/c1-17(2)11-14-29-20-21(26-23(29)28-13-7-10-19(25)16-28)27(3)24(32)30(22(20)31)15-12-18-8-5-4-6-9-18/h4-6,8-9,11-12,15,19,23,26H,7,10,13-14,16,25H2,1-3H3/b15-12+