N2-(1-pyrrolidin-1-ium-1-ylideneethyl)-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine

Systemtic Name: N2-(1-pyrrolidin-1-ium-1-ylideneethyl)-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine Openeye Name: N2-(1-pyrrolidin-1-ium-1-ylideneethyl)-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine CAS Name: N2-[1-(1-pyrrolidin-1-iumylidene)ethyl]-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine IUPAC Name: 2-N-(1-pyrrolidin-1-ium-1-ylideneethyl)-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine Traditional Name: [4-amino-5-(3,4,5-trimethoxybenzyl)pyrimidin-2-yl]-(1-pyrrolidin-1-ium-1-ylideneethyl)amine Formula: C20H28N5O3+ MolecularWeight: 386.46802

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Descriptors Computed from Structure

Canonical SMILES:

CC(=[N+]1CCCC1)NC2=NC=C(C(=N2)N)CC3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CC(=[N+]1CCCC1)NC2=NC=C(C(=N2)N)CC3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C20H27N5O3/c1-13(25-7-5-6-8-25)23-20-22-12-15(19(21)24-20)9-14-10-16(26-2)18(28-4)17(11-14)27-3/h10-12H,5-9H2,1-4H3,(H2,21,22,24)/p+1