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

Systemtic Name: 8-(3-azanylpiperidin-1-yl)-3-methyl-7-(3-methylbut-2-enyl)-1-[(3-methyl-4-oxidanylidene-phthalazin-1-yl)methyl]purine-2,6-dione Openeye Name: 8-(3-amino-1-piperidyl)-3-methyl-7-(3-methylbut-2-enyl)-1-[(3-methyl-4-oxo-phthalazin-1-yl)methyl]purine-2,6-dione CAS Name: 8-(3-amino-1-piperidinyl)-3-methyl-7-(3-methylbut-2-enyl)-1-[(3-methyl-4-oxo-1-phthalazinyl)methyl]purine-2,6-dione IUPAC Name: 8-(3-aminopiperidin-1-yl)-3-methyl-7-(3-methylbut-2-enyl)-1-[(3-methyl-4-oxophthalazin-1-yl)methyl]purine-2,6-dione Traditional Name: 8-(3-aminopiperidino)-1-[(4-keto-3-methyl-phthalazin-1-yl)methyl]-3-methyl-7-(3-methylbut-2-enyl)xanthine Formula: C26H32N8O3 MolecularWeight: 504.58408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32N8O3/c1-16(2)11-13-33-21-22(28-25(33)32-12-7-8-17(27)14-32)30(3)26(37)34(24(21)36)15-20-18-9-5-6-10-19(18)23(35)31(4)29-20/h5-6,9-11,17H,7-8,12-15,27H2,1-4H3