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

Systemtic Name: N2-(2-pyrrolidin-1-ylethyl)-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine Openeye Name: N2-(2-pyrrolidin-1-ylethyl)-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine CAS Name: N2-[2-(1-pyrrolidinyl)ethyl]-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine IUPAC Name: 2-N-(2-pyrrolidin-1-ylethyl)-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine Traditional Name: [4-amino-5-(3,4,5-trimethoxybenzyl)pyrimidin-2-yl]-(2-pyrrolidinoethyl)amine Formula: C20H29N5O3 MolecularWeight: 387.47596

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)NCCN3CCCC3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)NCCN3CCCC3

InChI

InChI=1S/C20H29N5O3/c1-26-16-11-14(12-17(27-2)18(16)28-3)10-15-13-23-20(24-19(15)21)22-6-9-25-7-4-5-8-25/h11-13H,4-10H2,1-3H3,(H3,21,22,23,24)