1,5-dimethyl-3-(phenylmethylsulfanyl)-7-pyrrolidin-1-yl-pyrimido[4,5-e][1,3,4]thiadiazine

Systemtic Name: 1,5-dimethyl-3-(phenylmethylsulfanyl)-7-pyrrolidin-1-yl-pyrimido[4,5-e][1,3,4]thiadiazine Openeye Name: 3-benzylsulfanyl-1,5-dimethyl-7-pyrrolidin-1-yl-pyrimido[4,5-e][1,3,4]thiadiazine CAS Name: 1,5-dimethyl-3-(phenylmethylthio)-7-(1-pyrrolidinyl)pyrimido[4,5-e][1,3,4]thiadiazine IUPAC Name: 3-benzylsulfanyl-1,5-dimethyl-7-pyrrolidin-1-ylpyrimido[4,5-e][1,3,4]thiadiazine Traditional Name: 3-(benzylthio)-1,5-dimethyl-7-pyrrolidino-pyrimido[4,5-e][1,3,4]thiadiazine Formula: C18H21N5S2 MolecularWeight: 371.52284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NC(=N1)N3CCCC3)N(N=C(S2)SCC4=CC=CC=C4)C

Isomeric SMILES

CC1=C2C(=NC(=N1)N3CCCC3)N(N=C(S2)SCC4=CC=CC=C4)C

InChI

InChI=1S/C18H21N5S2/c1-13-15-16(20-17(19-13)23-10-6-7-11-23)22(2)21-18(25-15)24-12-14-8-4-3-5-9-14/h3-5,8-9H,6-7,10-12H2,1-2H3