8-(3-azanylpiperidin-1-yl)-1,3-dimethyl-7-(thiophen-2-ylmethyl)purine-2,6-dione

Systemtic Name: 8-(3-azanylpiperidin-1-yl)-1,3-dimethyl-7-(thiophen-2-ylmethyl)purine-2,6-dione Openeye Name: 8-(3-amino-1-piperidyl)-1,3-dimethyl-7-(2-thienylmethyl)purine-2,6-dione CAS Name: 8-(3-amino-1-piperidinyl)-1,3-dimethyl-7-(thiophen-2-ylmethyl)purine-2,6-dione IUPAC Name: 8-(3-aminopiperidin-1-yl)-1,3-dimethyl-7-(thiophen-2-ylmethyl)purine-2,6-dione Traditional Name: 8-(3-aminopiperidino)-1,3-dimethyl-7-(2-thenyl)xanthine Formula: C17H22N6O2S MolecularWeight: 374.46058

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCC(C3)N)CC4=CC=CS4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCC(C3)N)CC4=CC=CS4

InChI

InChI=1S/C17H22N6O2S/c1-20-14-13(15(24)21(2)17(20)25)23(10-12-6-4-8-26-12)16(19-14)22-7-3-5-11(18)9-22/h4,6,8,11H,3,5,7,9-10,18H2,1-2H3