2-[5-azanyl-4-(3-azanylphenoxy)-6-[(phenylmethyl)amino]pyrimidin-2-yl]oxy-4-cyano-N,N-diethyl-benzamide

Systemtic Name: 2-[5-azanyl-4-(3-azanylphenoxy)-6-[(phenylmethyl)amino]pyrimidin-2-yl]oxy-4-cyano-N,N-diethyl-benzamide Openeye Name: 2-[5-amino-4-(3-aminophenoxy)-6-(benzylamino)pyrimidin-2-yl]oxy-4-cyano-N,N-diethyl-benzamide CAS Name: 2-[[5-amino-4-(3-aminophenoxy)-6-[(phenylmethyl)amino]-2-pyrimidinyl]oxy]-4-cyano-N,N-diethylbenzamide IUPAC Name: 2-[5-amino-4-(3-aminophenoxy)-6-(benzylamino)pyrimidin-2-yl]oxy-4-cyano-N,N-diethylbenzamide Traditional Name: 2-[5-amino-4-(3-aminophenoxy)-6-(benzylamino)pyrimidin-2-yl]oxy-4-cyano-N,N-diethyl-benzamide Formula: C29H29N7O3 MolecularWeight: 523.58566

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C=C(C=C1)C#N)OC2=NC(=C(C(=N2)OC3=CC=CC(=C3)N)N)NCC4=CC=CC=C4

Isomeric SMILES

CCN(CC)C(=O)C1=C(C=C(C=C1)C#N)OC2=NC(=C(C(=N2)OC3=CC=CC(=C3)N)N)NCC4=CC=CC=C4

InChI

InChI=1S/C29H29N7O3/c1-3-36(4-2)28(37)23-14-13-20(17-30)15-24(23)39-29-34-26(33-18-19-9-6-5-7-10-19)25(32)27(35-29)38-22-12-8-11-21(31)16-22/h5-16H,3-4,18,31-32H2,1-2H3,(H,33,34,35)