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

Systemtic Name: 8-[(3R)-3-azanylpiperidin-1-yl]-3-methyl-7-(3-methylbut-2-enyl)-1-[(4-methylquinazolin-2-yl)methyl]purine-2,6-dione Openeye Name: 8-[(3R)-3-amino-1-piperidyl]-3-methyl-7-(3-methylbut-2-enyl)-1-[(4-methylquinazolin-2-yl)methyl]purine-2,6-dione CAS Name: 8-[(3R)-3-amino-1-piperidinyl]-3-methyl-7-(3-methylbut-2-enyl)-1-[(4-methyl-2-quinazolinyl)methyl]purine-2,6-dione IUPAC Name: 8-[(3R)-3-aminopiperidin-1-yl]-3-methyl-7-(3-methylbut-2-enyl)-1-[(4-methylquinazolin-2-yl)methyl]purine-2,6-dione Traditional Name: 8-[(3R)-3-aminopiperidino]-3-methyl-7-(3-methylbut-2-enyl)-1-[(4-methylquinazolin-2-yl)methyl]xanthine Formula: C26H32N8O2 MolecularWeight: 488.58468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=CC=CC=C12)CN3C(=O)C4=C(N=C(N4CC=C(C)C)N5CCCC(C5)N)N(C3=O)C

Isomeric SMILES

CC1=NC(=NC2=CC=CC=C12)CN3C(=O)C4=C(N=C(N4CC=C(C)C)N5CCC[C@H](C5)N)N(C3=O)C

InChI

InChI=1S/C26H32N8O2/c1-16(2)11-13-33-22-23(30-25(33)32-12-7-8-18(27)14-32)31(4)26(36)34(24(22)35)15-21-28-17(3)19-9-5-6-10-20(19)29-21/h5-6,9-11,18H,7-8,12-15,27H2,1-4H3/t18-/m1/s1