1-[[2-(furan-2-ylmethylamino)-9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-5-ium-3-ylidene]methylamino]urea

Systemtic Name: 1-[[2-(furan-2-ylmethylamino)-9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-5-ium-3-ylidene]methylamino]urea Openeye Name: [[2-(2-furylmethylamino)-9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-5-ium-3-ylidene]methylamino]urea CAS Name: [[2-(2-furanylmethylamino)-9-methyl-4-oxo-3-pyrido[1,2-a]pyrimidin-5-iumylidene]methylamino]urea IUPAC Name: [[2-(furan-2-ylmethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-5-ium-3-ylidene]methylamino]urea Traditional Name: [[2-(2-furfurylamino)-4-keto-9-methyl-pyrido[1,2-a]pyrimidin-5-ium-3-ylidene]methylamino]urea Formula: C16H17N6O3+ MolecularWeight: 341.34458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2N=C(C(=CNNC(=O)N)C(=O)[N+]2=CC=C1)NCC3=CC=CO3

Isomeric SMILES

CC1=C2N=C(C(=CNNC(=O)N)C(=O)[N+]2=CC=C1)NCC3=CC=CO3

InChI

InChI=1S/C16H16N6O3/c1-10-4-2-6-22-14(10)20-13(18-8-11-5-3-7-25-11)12(15(22)23)9-19-21-16(17)24/h2-7,9H,8H2,1H3,(H4,17,18,19,21,23,24)/p+1