4-[(5-bromanyl-4-phenylazanyl-pyrimidin-2-yl)amino]-N-(2-diethylaminoethyl)benzamide

Systemtic Name: 4-[(5-bromanyl-4-phenylazanyl-pyrimidin-2-yl)amino]-N-(2-diethylaminoethyl)benzamide Openeye Name: 4-[(4-anilino-5-bromo-pyrimidin-2-yl)amino]-N-(2-diethylaminoethyl)benzamide CAS Name: 4-[(4-anilino-5-bromo-2-pyrimidinyl)amino]-N-(2-diethylaminoethyl)benzamide IUPAC Name: 4-[(4-anilino-5-bromopyrimidin-2-yl)amino]-N-(2-diethylaminoethyl)benzamide Traditional Name: 4-[(4-anilino-5-bromo-pyrimidin-2-yl)amino]-N-(2-diethylaminoethyl)benzamide Formula: C23H27BrN6O MolecularWeight: 483.40408

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3=CC=CC=C3)Br

Isomeric SMILES

CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3=CC=CC=C3)Br

InChI

InChI=1S/C23H27BrN6O/c1-3-30(4-2)15-14-25-22(31)17-10-12-19(13-11-17)28-23-26-16-20(24)21(29-23)27-18-8-6-5-7-9-18/h5-13,16H,3-4,14-15H2,1-2H3,(H,25,31)(H2,26,27,28,29)