N-[2-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)amino]ethyl]-5-[(2R)-pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[2-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)amino]ethyl]-5-[(2R)-pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Openeye Name: N-[2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)amino]ethyl]-5-[(2R)-pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide CAS Name: N-[2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)amino]ethyl]-5-[(2R)-2-pyrrolidin-1-iumyl]-2-thiophenecarboxamide IUPAC Name: N-[2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)amino]ethyl]-5-[(2R)-pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Traditional Name: N-[2-[(4-keto-6-methyl-1H-pyrimidin-2-yl)amino]ethyl]-5-[(2R)-pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Formula: C16H22N5O2S+ MolecularWeight: 348.44318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)NCCNC(=O)C2=CC=C(S2)C3CCC[NH2+]3

Isomeric SMILES

CC1=CC(=O)N=C(N1)NCCNC(=O)C2=CC=C(S2)[C@H]3CCC[NH2+]3

InChI

InChI=1S/C16H21N5O2S/c1-10-9-14(22)21-16(20-10)19-8-7-18-15(23)13-5-4-12(24-13)11-3-2-6-17-11/h4-5,9,11,17H,2-3,6-8H2,1H3,(H,18,23)(H2,19,20,21,22)/p+1/t11-/m1/s1