8-(3-azanylpiperidin-1-yl)-3-methyl-7-(3-methylbut-2-enyl)-1-(quinazolin-4-ylmethyl)purine-2,6-dione

Systemtic Name: 8-(3-azanylpiperidin-1-yl)-3-methyl-7-(3-methylbut-2-enyl)-1-(quinazolin-4-ylmethyl)purine-2,6-dione Openeye Name: 8-(3-amino-1-piperidyl)-3-methyl-7-(3-methylbut-2-enyl)-1-(quinazolin-4-ylmethyl)purine-2,6-dione CAS Name: 8-(3-amino-1-piperidinyl)-3-methyl-7-(3-methylbut-2-enyl)-1-(4-quinazolinylmethyl)purine-2,6-dione IUPAC Name: 8-(3-aminopiperidin-1-yl)-3-methyl-7-(3-methylbut-2-enyl)-1-(quinazolin-4-ylmethyl)purine-2,6-dione Traditional Name: 8-(3-aminopiperidino)-3-methyl-7-(3-methylbut-2-enyl)-1-(quinazolin-4-ylmethyl)xanthine Formula: C25H30N8O2 MolecularWeight: 474.5581

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2=C(N=C1N3CCCC(C3)N)N(C(=O)N(C2=O)CC4=NC=NC5=CC=CC=C54)C)C

Isomeric SMILES

CC(=CCN1C2=C(N=C1N3CCCC(C3)N)N(C(=O)N(C2=O)CC4=NC=NC5=CC=CC=C54)C)C

InChI

InChI=1S/C25H30N8O2/c1-16(2)10-12-32-21-22(29-24(32)31-11-6-7-17(26)13-31)30(3)25(35)33(23(21)34)14-20-18-8-4-5-9-19(18)27-15-28-20/h4-5,8-10,15,17H,6-7,11-14,26H2,1-3H3