2-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]amino]-6-propan-2-yl-1H-pyrimidin-4-one

Systemtic Name: 2-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]amino]-6-propan-2-yl-1H-pyrimidin-4-one Openeye Name: 6-isopropyl-2-[4-(4-methylpiperazin-4-ium-1-yl)anilino]-1H-pyrimidin-4-one CAS Name: 2-[4-(4-methyl-1-piperazin-4-iumyl)anilino]-6-propan-2-yl-1H-pyrimidin-4-one IUPAC Name: 2-[4-(4-methylpiperazin-4-ium-1-yl)anilino]-6-propan-2-yl-1H-pyrimidin-4-one Traditional Name: 6-isopropyl-2-[4-(4-methylpiperazin-4-ium-1-yl)anilino]-1H-pyrimidin-4-one Formula: C18H26N5O+ MolecularWeight: 328.43194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=O)N=C(N1)NC2=CC=C(C=C2)N3CC[NH+](CC3)C

Isomeric SMILES

CC(C)C1=CC(=O)N=C(N1)NC2=CC=C(C=C2)N3CC[NH+](CC3)C

InChI

InChI=1S/C18H25N5O/c1-13(2)16-12-17(24)21-18(20-16)19-14-4-6-15(7-5-14)23-10-8-22(3)9-11-23/h4-7,12-13H,8-11H2,1-3H3,(H2,19,20,21,24)/p+1