2-[[4-(3-oxidanylpropyl)phenyl]amino]-4-[(phenylmethyl)amino]pyrimidine-5-carboxamide

Systemtic Name: 2-[[4-(3-oxidanylpropyl)phenyl]amino]-4-[(phenylmethyl)amino]pyrimidine-5-carboxamide Openeye Name: 4-(benzylamino)-2-[4-(3-hydroxypropyl)anilino]pyrimidine-5-carboxamide CAS Name: 2-[4-(3-hydroxypropyl)anilino]-4-[(phenylmethyl)amino]-5-pyrimidinecarboxamide IUPAC Name: 4-(benzylamino)-2-[4-(3-hydroxypropyl)anilino]pyrimidine-5-carboxamide Traditional Name: 4-(benzylamino)-2-[4-(3-hydroxypropyl)anilino]pyrimidine-5-carboxamide Formula: C21H23N5O2 MolecularWeight: 377.43962

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC(=NC=C2C(=O)N)NC3=CC=C(C=C3)CCCO

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC(=NC=C2C(=O)N)NC3=CC=C(C=C3)CCCO

InChI

InChI=1S/C21H23N5O2/c22-19(28)18-14-24-21(25-17-10-8-15(9-11-17)7-4-12-27)26-20(18)23-13-16-5-2-1-3-6-16/h1-3,5-6,8-11,14,27H,4,7,12-13H2,(H2,22,28)(H2,23,24,25,26)