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

Systemtic Name: 8-[(3R)-3-azanylpiperidin-1-yl]-7-but-2-ynyl-1-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]-3-methyl-purine-2,6-dione Openeye Name: 8-[(3R)-3-amino-1-piperidyl]-7-but-2-ynyl-1-[2-(3-methoxyphenyl)-2-oxo-ethyl]-3-methyl-purine-2,6-dione CAS Name: 8-[(3R)-3-amino-1-piperidinyl]-7-but-2-ynyl-1-[2-(3-methoxyphenyl)-2-oxoethyl]-3-methylpurine-2,6-dione IUPAC Name: 8-[(3R)-3-aminopiperidin-1-yl]-7-but-2-ynyl-1-[2-(3-methoxyphenyl)-2-oxoethyl]-3-methylpurine-2,6-dione Traditional Name: 8-[(3R)-3-aminopiperidino]-7-but-2-ynyl-1-[2-keto-2-(3-methoxyphenyl)ethyl]-3-methyl-xanthine Formula: C24H28N6O4 MolecularWeight: 464.51692

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCCC(C3)N)N(C(=O)N(C2=O)CC(=O)C4=CC(=CC=C4)OC)C

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCC[C@H](C3)N)N(C(=O)N(C2=O)CC(=O)C4=CC(=CC=C4)OC)C

InChI

InChI=1S/C24H28N6O4/c1-4-5-12-29-20-21(26-23(29)28-11-7-9-17(25)14-28)27(2)24(33)30(22(20)32)15-19(31)16-8-6-10-18(13-16)34-3/h6,8,10,13,17H,7,9,11-12,14-15,25H2,1-3H3/t17-/m1/s1