1-[[2-(4-methylpiperidin-1-yl)-4-oxidanylidene-pyrido[1,2-a]pyrimidin-5-ium-3-ylidene]methylamino]thiourea

Systemtic Name: 1-[[2-(4-methylpiperidin-1-yl)-4-oxidanylidene-pyrido[1,2-a]pyrimidin-5-ium-3-ylidene]methylamino]thiourea Openeye Name: [[2-(4-methyl-1-piperidyl)-4-oxo-pyrido[1,2-a]pyrimidin-5-ium-3-ylidene]methylamino]thiourea CAS Name: [[2-(4-methyl-1-piperidinyl)-4-oxo-3-pyrido[1,2-a]pyrimidin-5-iumylidene]methylamino]thiourea IUPAC Name: [[2-(4-methylpiperidin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-5-ium-3-ylidene]methylamino]thiourea Traditional Name: [[4-keto-2-(4-methylpiperidino)pyrido[1,2-a]pyrimidin-5-ium-3-ylidene]methylamino]thiourea Formula: C16H21N6OS+ MolecularWeight: 345.44254

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=NC3=CC=CC=[N+]3C(=O)C2=CNNC(=S)N

Isomeric SMILES

CC1CCN(CC1)C2=NC3=CC=CC=[N+]3C(=O)C2=CNNC(=S)N

InChI

InChI=1S/C16H20N6OS/c1-11-5-8-21(9-6-11)14-12(10-18-20-16(17)24)15(23)22-7-3-2-4-13(22)19-14/h2-4,7,10-11H,5-6,8-9H2,1H3,(H3,17,20,24)/p+1