1-phenylazanylethyl 2-[[4-[3-(dimethylamino)-2-oxidanyl-propoxy]phenyl]amino]pyrimidine-4-carboxylate

Systemtic Name: 1-phenylazanylethyl 2-[[4-[3-(dimethylamino)-2-oxidanyl-propoxy]phenyl]amino]pyrimidine-4-carboxylate Openeye Name: 1-anilinoethyl 2-[4-[3-(dimethylamino)-2-hydroxy-propoxy]anilino]pyrimidine-4-carboxylate CAS Name: 2-[4-[3-(dimethylamino)-2-hydroxypropoxy]anilino]-4-pyrimidinecarboxylic acid 1-anilinoethyl ester IUPAC Name: 1-anilinoethyl 2-[4-[3-(dimethylamino)-2-hydroxypropoxy]anilino]pyrimidine-4-carboxylate Traditional Name: 2-[4-[3-(dimethylamino)-2-hydroxy-propoxy]anilino]pyrimidine-4-carboxylic acid 1-anilinoethyl ester Formula: C24H29N5O4 MolecularWeight: 451.51816

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Descriptors Computed from Structure

Canonical SMILES:

CC(NC1=CC=CC=C1)OC(=O)C2=NC(=NC=C2)NC3=CC=C(C=C3)OCC(CN(C)C)O

Isomeric SMILES

CC(NC1=CC=CC=C1)OC(=O)C2=NC(=NC=C2)NC3=CC=C(C=C3)OCC(CN(C)C)O

InChI

InChI=1S/C24H29N5O4/c1-17(26-18-7-5-4-6-8-18)33-23(31)22-13-14-25-24(28-22)27-19-9-11-21(12-10-19)32-16-20(30)15-29(2)3/h4-14,17,20,26,30H,15-16H2,1-3H3,(H,25,27,28)