1,3-dimethyl-7-[2-oxidanylidene-2-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]ethyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[2-oxidanylidene-2-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]ethyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[2-oxo-2-[4-(3-thienylmethyl)-1,4-diazepan-1-yl]ethyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-oxo-2-[4-(3-thiophenylmethyl)-1,4-diazepan-1-yl]ethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-oxo-2-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]ethyl]purine-2,6-dione Traditional Name: 7-[2-keto-2-[4-(3-thenyl)-1,4-diazepan-1-yl]ethyl]-1,3-dimethyl-xanthine Formula: C19H24N6O3S MolecularWeight: 416.49726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N3CCCN(CC3)CC4=CSC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N3CCCN(CC3)CC4=CSC=C4

InChI

InChI=1S/C19H24N6O3S/c1-21-17-16(18(27)22(2)19(21)28)25(13-20-17)11-15(26)24-6-3-5-23(7-8-24)10-14-4-9-29-12-14/h4,9,12-13H,3,5-8,10-11H2,1-2H3