methyl 4-(ethylamino)-2-[4-(phenylmethyl)piperazin-1-yl]pyrimidine-5-carboxylate

Systemtic Name: methyl 4-(ethylamino)-2-[4-(phenylmethyl)piperazin-1-yl]pyrimidine-5-carboxylate Openeye Name: methyl 2-(4-benzylpiperazin-1-yl)-4-(ethylamino)pyrimidine-5-carboxylate CAS Name: 4-(ethylamino)-2-[4-(phenylmethyl)-1-piperazinyl]-5-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 2-(4-benzylpiperazin-1-yl)-4-(ethylamino)pyrimidine-5-carboxylate Traditional Name: 2-(4-benzylpiperazino)-4-(ethylamino)pyrimidine-5-carboxylic acid methyl ester Formula: C19H25N5O2 MolecularWeight: 355.4341

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC=C1C(=O)OC)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCNC1=NC(=NC=C1C(=O)OC)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C19H25N5O2/c1-3-20-17-16(18(25)26-2)13-21-19(22-17)24-11-9-23(10-12-24)14-15-7-5-4-6-8-15/h4-8,13H,3,9-12,14H2,1-2H3,(H,20,21,22)