8-(3-azanylpiperidin-1-yl)-3-methyl-7-(3-methylbut-2-enyl)-1-[(4-oxidanylidene-3H-phthalazin-1-yl)methyl]purine-2,6-dione

Systemtic Name: 8-(3-azanylpiperidin-1-yl)-3-methyl-7-(3-methylbut-2-enyl)-1-[(4-oxidanylidene-3H-phthalazin-1-yl)methyl]purine-2,6-dione Openeye Name: 8-(3-amino-1-piperidyl)-3-methyl-7-(3-methylbut-2-enyl)-1-[(4-oxo-3H-phthalazin-1-yl)methyl]purine-2,6-dione CAS Name: 8-(3-amino-1-piperidinyl)-3-methyl-7-(3-methylbut-2-enyl)-1-[(4-oxo-3H-phthalazin-1-yl)methyl]purine-2,6-dione IUPAC Name: 8-(3-aminopiperidin-1-yl)-3-methyl-7-(3-methylbut-2-enyl)-1-[(4-oxo-3H-phthalazin-1-yl)methyl]purine-2,6-dione Traditional Name: 8-(3-aminopiperidino)-1-[(4-keto-3H-phthalazin-1-yl)methyl]-3-methyl-7-(3-methylbut-2-enyl)xanthine Formula: C25H30N8O3 MolecularWeight: 490.5575

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2=C(N=C1N3CCCC(C3)N)N(C(=O)N(C2=O)CC4=NNC(=O)C5=CC=CC=C54)C)C

Isomeric SMILES

CC(=CCN1C2=C(N=C1N3CCCC(C3)N)N(C(=O)N(C2=O)CC4=NNC(=O)C5=CC=CC=C54)C)C

InChI

InChI=1S/C25H30N8O3/c1-15(2)10-12-32-20-21(27-24(32)31-11-6-7-16(26)13-31)30(3)25(36)33(23(20)35)14-19-17-8-4-5-9-18(17)22(34)29-28-19/h4-5,8-10,16H,6-7,11-14,26H2,1-3H3,(H,29,34)