8-[(3R)-3-azanylpiperidin-1-yl]-7-but-2-ynyl-1-[(4-methoxynaphthalen-1-yl)methyl]-3-methyl-purine-2,6-dione

Systemtic Name: 8-[(3R)-3-azanylpiperidin-1-yl]-7-but-2-ynyl-1-[(4-methoxynaphthalen-1-yl)methyl]-3-methyl-purine-2,6-dione Openeye Name: 8-[(3R)-3-amino-1-piperidyl]-7-but-2-ynyl-1-[(4-methoxy-1-naphthyl)methyl]-3-methyl-purine-2,6-dione CAS Name: 8-[(3R)-3-amino-1-piperidinyl]-7-but-2-ynyl-1-[(4-methoxy-1-naphthalenyl)methyl]-3-methylpurine-2,6-dione IUPAC Name: 8-[(3R)-3-aminopiperidin-1-yl]-7-but-2-ynyl-1-[(4-methoxynaphthalen-1-yl)methyl]-3-methylpurine-2,6-dione Traditional Name: 8-[(3R)-3-aminopiperidino]-7-but-2-ynyl-1-[(4-methoxy-1-naphthyl)methyl]-3-methyl-xanthine Formula: C27H30N6O3 MolecularWeight: 486.5655

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCCC(C3)N)N(C(=O)N(C2=O)CC4=CC=C(C5=CC=CC=C45)OC)C

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCC[C@H](C3)N)N(C(=O)N(C2=O)CC4=CC=C(C5=CC=CC=C45)OC)C

InChI

InChI=1S/C27H30N6O3/c1-4-5-15-32-23-24(29-26(32)31-14-8-9-19(28)17-31)30(2)27(35)33(25(23)34)16-18-12-13-22(36-3)21-11-7-6-10-20(18)21/h6-7,10-13,19H,8-9,14-17,28H2,1-3H3/t19-/m1/s1