1-methyl-1-[(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]-3-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]urea

Systemtic Name: 1-methyl-1-[(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]-3-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]urea Openeye Name: 1-methyl-1-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]-3-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]urea CAS Name: 1-methyl-1-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]-3-[[2-(1-pyrrolidinyl)-4-pyridin-1-iumyl]methyl]urea IUPAC Name: 1-methyl-1-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]-3-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]urea Traditional Name: 1-[(4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]-1-methyl-3-[(2-pyrrolidinopyridin-1-ium-4-yl)methyl]urea Formula: C19H23N6O2S+ MolecularWeight: 399.48992

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC(=O)C2=C(N1)C=CS2)C(=O)NCC3=CC(=[NH+]C=C3)N4CCCC4

Isomeric SMILES

CN(CC1=NC(=O)C2=C(N1)C=CS2)C(=O)NCC3=CC(=[NH+]C=C3)N4CCCC4

InChI

InChI=1S/C19H22N6O2S/c1-24(12-15-22-14-5-9-28-17(14)18(26)23-15)19(27)21-11-13-4-6-20-16(10-13)25-7-2-3-8-25/h4-6,9-10H,2-3,7-8,11-12H2,1H3,(H,21,27)(H,22,23,26)/p+1