5-methoxy-4-(2-methylpyrazol-3-yl)-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]pyrimidin-2-amine

Systemtic Name: 5-methoxy-4-(2-methylpyrazol-3-yl)-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]pyrimidin-2-amine Openeye Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-5-methoxy-4-(2-methylpyrazol-3-yl)pyrimidin-2-amine CAS Name: 5-methoxy-4-(2-methyl-3-pyrazolyl)-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]-2-pyrimidinamine IUPAC Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-5-methoxy-4-(2-methylpyrazol-3-yl)pyrimidin-2-amine Traditional Name: [(3S)-1-benzylpyrrolidin-1-ium-3-yl]-[5-methoxy-4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]amine Formula: C20H25N6O+ MolecularWeight: 365.4521

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=N1)C2=NC(=NC=C2OC)NC3CC[NH+](C3)CC4=CC=CC=C4

Isomeric SMILES

CN1C(=CC=N1)C2=NC(=NC=C2OC)N[C@H]3CC[NH+](C3)CC4=CC=CC=C4

InChI

InChI=1S/C20H24N6O/c1-25-17(8-10-22-25)19-18(27-2)12-21-20(24-19)23-16-9-11-26(14-16)13-15-6-4-3-5-7-15/h3-8,10,12,16H,9,11,13-14H2,1-2H3,(H,21,23,24)/p+1/t16-/m0/s1