1-[(9-methyl-4-oxidanylidene-2-pyrrolidin-1-yl-pyrido[1,2-a]pyrimidin-5-ium-3-ylidene)methylamino]thiourea

Systemtic Name: 1-[(9-methyl-4-oxidanylidene-2-pyrrolidin-1-yl-pyrido[1,2-a]pyrimidin-5-ium-3-ylidene)methylamino]thiourea Openeye Name: [(9-methyl-4-oxo-2-pyrrolidin-1-yl-pyrido[1,2-a]pyrimidin-5-ium-3-ylidene)methylamino]thiourea CAS Name: [[9-methyl-4-oxo-2-(1-pyrrolidinyl)-3-pyrido[1,2-a]pyrimidin-5-iumylidene]methylamino]thiourea IUPAC Name: [(9-methyl-4-oxo-2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidin-5-ium-3-ylidene)methylamino]thiourea Traditional Name: [(4-keto-9-methyl-2-pyrrolidino-pyrido[1,2-a]pyrimidin-5-ium-3-ylidene)methylamino]thiourea Formula: C15H19N6OS+ MolecularWeight: 331.41596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2N=C(C(=CNNC(=S)N)C(=O)[N+]2=CC=C1)N3CCCC3

Isomeric SMILES

CC1=C2N=C(C(=CNNC(=S)N)C(=O)[N+]2=CC=C1)N3CCCC3

InChI

InChI=1S/C15H18N6OS/c1-10-5-4-8-21-12(10)18-13(20-6-2-3-7-20)11(14(21)22)9-17-19-15(16)23/h4-5,8-9H,2-3,6-7H2,1H3,(H3,16,19,23)/p+1