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

Systemtic Name: 8-[(3R)-3-azanylpiperidin-1-yl]-7-but-2-ynyl-1-[2-(3-methyl-2-oxidanylidene-1,3-benzoxazol-4-yl)-2-oxidanylidene-ethyl]-3-phenyl-purine-2,6-dione Openeye Name: 8-[(3R)-3-amino-1-piperidyl]-7-but-2-ynyl-1-[2-(3-methyl-2-oxo-1,3-benzoxazol-4-yl)-2-oxo-ethyl]-3-phenyl-purine-2,6-dione CAS Name: 8-[(3R)-3-amino-1-piperidinyl]-7-but-2-ynyl-1-[2-(3-methyl-2-oxo-1,3-benzoxazol-4-yl)-2-oxoethyl]-3-phenylpurine-2,6-dione IUPAC Name: 8-[(3R)-3-aminopiperidin-1-yl]-7-but-2-ynyl-1-[2-(3-methyl-2-oxo-1,3-benzoxazol-4-yl)-2-oxoethyl]-3-phenylpurine-2,6-dione Traditional Name: 8-[(3R)-3-aminopiperidino]-7-but-2-ynyl-1-[2-keto-2-(2-keto-3-methyl-1,3-benzoxazol-4-yl)ethyl]-3-phenyl-xanthine Formula: C30H29N7O5 MolecularWeight: 567.59516

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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=C5C(=CC=C4)OC(=O)N5C)C6=CC=CC=C6

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCC[C@H](C3)N)N(C(=O)N(C2=O)CC(=O)C4=C5C(=CC=C4)OC(=O)N5C)C6=CC=CC=C6

InChI

InChI=1S/C30H29N7O5/c1-3-4-16-35-25-26(32-28(35)34-15-9-10-19(31)17-34)37(20-11-6-5-7-12-20)29(40)36(27(25)39)18-22(38)21-13-8-14-23-24(21)33(2)30(41)42-23/h5-8,11-14,19H,9-10,15-18,31H2,1-2H3/t19-/m1/s1