1-[[4-azanyl-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-yl]amino]ethylidene-diethyl-azanium

Systemtic Name: 1-[[4-azanyl-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-yl]amino]ethylidene-diethyl-azanium Openeye Name: 1-[[4-amino-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-yl]amino]ethylidene-diethyl-ammonium CAS Name: 1-[[4-amino-5-[(3,4,5-trimethoxyphenyl)methyl]-2-pyrimidinyl]amino]ethylidene-diethylammonium IUPAC Name: 1-[[4-amino-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-yl]amino]ethylidene-diethylazanium Traditional Name: 1-[[4-amino-5-(3,4,5-trimethoxybenzyl)pyrimidin-2-yl]amino]ethylidene-diethyl-ammonium Formula: C20H30N5O3+ MolecularWeight: 388.4839

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](=C(C)NC1=NC=C(C(=N1)N)CC2=CC(=C(C(=C2)OC)OC)OC)CC

Isomeric SMILES

CC[N+](=C(C)NC1=NC=C(C(=N1)N)CC2=CC(=C(C(=C2)OC)OC)OC)CC

InChI

InChI=1S/C20H29N5O3/c1-7-25(8-2)13(3)23-20-22-12-15(19(21)24-20)9-14-10-16(26-4)18(28-6)17(11-14)27-5/h10-12H,7-9H2,1-6H3,(H2,21,22,24)/p+1