4-[(1-cyclopentyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine

Systemtic Name: 4-[(1-cyclopentyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine Openeye Name: 4-(1-cyclopentyltetrazol-5-yl)sulfanyl-5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine CAS Name: 4-[(1-cyclopentyl-5-tetrazolyl)thio]-5,6-dimethyl-2-(1-pyrrolidin-1-iumylmethyl)thieno[2,3-d]pyrimidine IUPAC Name: 4-(1-cyclopentyltetrazol-5-yl)sulfanyl-5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine Traditional Name: 4-[(1-cyclopentyltetrazol-5-yl)thio]-5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine Formula: C19H26N7S2+ MolecularWeight: 416.58664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=NC(=N2)C[NH+]3CCCC3)SC4=NN=NN4C5CCCC5)C

Isomeric SMILES

CC1=C(SC2=C1C(=NC(=N2)C[NH+]3CCCC3)SC4=NN=NN4C5CCCC5)C

InChI

InChI=1S/C19H25N7S2/c1-12-13(2)27-17-16(12)18(21-15(20-17)11-25-9-5-6-10-25)28-19-22-23-24-26(19)14-7-3-4-8-14/h14H,3-11H2,1-2H3/p+1