N-[2-[[6-(2-acetamidoethylamino)-5-methyl-2-phenyl-pyrimidin-4-yl]amino]ethyl]-4-pyrrol-1-yl-benzamide

Systemtic Name: N-[2-[[6-(2-acetamidoethylamino)-5-methyl-2-phenyl-pyrimidin-4-yl]amino]ethyl]-4-pyrrol-1-yl-benzamide Openeye Name: N-[2-[[6-(2-acetamidoethylamino)-5-methyl-2-phenyl-pyrimidin-4-yl]amino]ethyl]-4-pyrrol-1-yl-benzamide CAS Name: N-[2-[[6-(2-acetamidoethylamino)-5-methyl-2-phenyl-4-pyrimidinyl]amino]ethyl]-4-(1-pyrrolyl)benzamide IUPAC Name: N-[2-[[6-(2-acetamidoethylamino)-5-methyl-2-phenylpyrimidin-4-yl]amino]ethyl]-4-pyrrol-1-ylbenzamide Traditional Name: N-[2-[[6-(2-acetamidoethylamino)-5-methyl-2-phenyl-pyrimidin-4-yl]amino]ethyl]-4-pyrrol-1-yl-benzamide Formula: C28H31N7O2 MolecularWeight: 497.59144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1NCCNC(=O)C)C2=CC=CC=C2)NCCNC(=O)C3=CC=C(C=C3)N4C=CC=C4

Isomeric SMILES

CC1=C(N=C(N=C1NCCNC(=O)C)C2=CC=CC=C2)NCCNC(=O)C3=CC=C(C=C3)N4C=CC=C4

InChI

InChI=1S/C28H31N7O2/c1-20-25(30-15-14-29-21(2)36)33-27(22-8-4-3-5-9-22)34-26(20)31-16-17-32-28(37)23-10-12-24(13-11-23)35-18-6-7-19-35/h3-13,18-19H,14-17H2,1-2H3,(H,29,36)(H,32,37)(H2,30,31,33,34)