4-[(phenylmethyl)amino]-2-[(4-piperazin-1-ylphenyl)amino]pyrimidine-5-carboxamide

Systemtic Name: 4-[(phenylmethyl)amino]-2-[(4-piperazin-1-ylphenyl)amino]pyrimidine-5-carboxamide Openeye Name: 4-(benzylamino)-2-(4-piperazin-1-ylanilino)pyrimidine-5-carboxamide CAS Name: 4-[(phenylmethyl)amino]-2-[4-(1-piperazinyl)anilino]-5-pyrimidinecarboxamide IUPAC Name: 4-(benzylamino)-2-(4-piperazin-1-ylanilino)pyrimidine-5-carboxamide Traditional Name: 4-(benzylamino)-2-(4-piperazinoanilino)pyrimidine-5-carboxamide Formula: C22H25N7O MolecularWeight: 403.4802

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CC=C(C=C2)NC3=NC=C(C(=N3)NCC4=CC=CC=C4)C(=O)N

Isomeric SMILES

C1CN(CCN1)C2=CC=C(C=C2)NC3=NC=C(C(=N3)NCC4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C22H25N7O/c23-20(30)19-15-26-22(28-21(19)25-14-16-4-2-1-3-5-16)27-17-6-8-18(9-7-17)29-12-10-24-11-13-29/h1-9,15,24H,10-14H2,(H2,23,30)(H2,25,26,27,28)