[3-(6-cyclopropyl-4-oxidanylidene-1H-pyrimidin-2-yl)phenyl]methyl-methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]azanium

Systemtic Name: [3-(6-cyclopropyl-4-oxidanylidene-1H-pyrimidin-2-yl)phenyl]methyl-methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]azanium Openeye Name: [3-(6-cyclopropyl-4-oxo-1H-pyrimidin-2-yl)phenyl]methyl-methyl-[(2-methylthiazol-4-yl)methyl]ammonium CAS Name: [3-(6-cyclopropyl-4-oxo-1H-pyrimidin-2-yl)phenyl]methyl-methyl-[(2-methyl-4-thiazolyl)methyl]ammonium IUPAC Name: [3-(6-cyclopropyl-4-oxo-1H-pyrimidin-2-yl)phenyl]methyl-methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]azanium Traditional Name: [3-(6-cyclopropyl-4-keto-1H-pyrimidin-2-yl)benzyl]-methyl-[(2-methylthiazol-4-yl)methyl]ammonium Formula: C20H23N4OS+ MolecularWeight: 367.48782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C[NH+](C)CC2=CC=CC(=C2)C3=NC(=O)C=C(N3)C4CC4

Isomeric SMILES

CC1=NC(=CS1)C[NH+](C)CC2=CC=CC(=C2)C3=NC(=O)C=C(N3)C4CC4

InChI

InChI=1S/C20H22N4OS/c1-13-21-17(12-26-13)11-24(2)10-14-4-3-5-16(8-14)20-22-18(15-6-7-15)9-19(25)23-20/h3-5,8-9,12,15H,6-7,10-11H2,1-2H3,(H,22,23,25)/p+1