3-[[5-cyclopropyl-1-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]pyrazol-4-yl]carbonyl-methyl-amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[5-cyclopropyl-1-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]pyrazol-4-yl]carbonyl-methyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[[5-cyclopropyl-1-[4-(5-methyl-2-furyl)pyrimidin-2-yl]pyrazole-4-carbonyl]-methyl-amino]propyl-dimethyl-ammonium CAS Name: 3-[[[5-cyclopropyl-1-[4-(5-methyl-2-furanyl)-2-pyrimidinyl]-4-pyrazolyl]-oxomethyl]-methylamino]propyl-dimethylammonium IUPAC Name: 3-[[5-cyclopropyl-1-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]pyrazole-4-carbonyl]-methylamino]propyl-dimethylazanium Traditional Name: 3-[[5-cyclopropyl-1-[4-(5-methyl-2-furyl)pyrimidin-2-yl]pyrazole-4-carbonyl]-methyl-amino]propyl-dimethyl-ammonium Formula: C22H29N6O2+ MolecularWeight: 409.50466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=NC(=NC=C2)N3C(=C(C=N3)C(=O)N(C)CCC[NH+](C)C)C4CC4

Isomeric SMILES

CC1=CC=C(O1)C2=NC(=NC=C2)N3C(=C(C=N3)C(=O)N(C)CCC[NH+](C)C)C4CC4

InChI

InChI=1S/C22H28N6O2/c1-15-6-9-19(30-15)18-10-11-23-22(25-18)28-20(16-7-8-16)17(14-24-28)21(29)27(4)13-5-12-26(2)3/h6,9-11,14,16H,5,7-8,12-13H2,1-4H3/p+1