(E)-N-[3-(dimethylamino)propyl]-N'-[4-(6-ethynyl-2,3-dihydroindol-1-yl)pyrido[3,4-d]pyrimidin-6-yl]but-2-enediamide

Systemtic Name: (E)-N-[3-(dimethylamino)propyl]-N'-[4-(6-ethynyl-2,3-dihydroindol-1-yl)pyrido[3,4-d]pyrimidin-6-yl]but-2-enediamide Openeye Name: (E)-N-[3-(dimethylamino)propyl]-N'-[4-(6-ethynylindolin-1-yl)pyrido[3,4-d]pyrimidin-6-yl]but-2-enediamide CAS Name: (E)-N-[3-(dimethylamino)propyl]-N'-[4-(6-ethynyl-2,3-dihydroindol-1-yl)-6-pyrido[3,4-d]pyrimidinyl]-2-butenediamide IUPAC Name: (E)-N-[3-(dimethylamino)propyl]-N'-[4-(6-ethynyl-2,3-dihydroindol-1-yl)pyrido[3,4-d]pyrimidin-6-yl]but-2-enediamide Traditional Name: (E)-N-[3-(dimethylamino)propyl]-N'-[4-(6-ethynylindolin-1-yl)pyrido[3,4-d]pyrimidin-6-yl]but-2-enediamide Formula: C26H27N7O2 MolecularWeight: 469.53828

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNC(=O)C=CC(=O)NC1=NC=C2C(=C1)C(=NC=N2)N3CCC4=C3C=C(C=C4)C#C

Isomeric SMILES

CN(C)CCCNC(=O)/C=C/C(=O)NC1=NC=C2C(=C1)C(=NC=N2)N3CCC4=C3C=C(C=C4)C#C

InChI

InChI=1S/C26H27N7O2/c1-4-18-6-7-19-10-13-33(22(19)14-18)26-20-15-23(28-16-21(20)29-17-30-26)31-25(35)9-8-24(34)27-11-5-12-32(2)3/h1,6-9,14-17H,5,10-13H2,2-3H3,(H,27,34)(H,28,31,35)/b9-8+