(E)-N-[4-(6,7-dihydropyrrolo[2,3-f]indol-3-yl)pyrido[3,4-d]pyrimidin-6-yl]-4-(3-morpholin-4-ylpropylsulfanyl)but-2-enamide

Systemtic Name: (E)-N-[4-(6,7-dihydropyrrolo[2,3-f]indol-3-yl)pyrido[3,4-d]pyrimidin-6-yl]-4-(3-morpholin-4-ylpropylsulfanyl)but-2-enamide Openeye Name: (E)-N-[4-(6,7-dihydropyrrolo[2,3-f]indol-3-yl)pyrido[3,4-d]pyrimidin-6-yl]-4-(3-morpholinopropylsulfanyl)but-2-enamide CAS Name: (E)-N-[4-(6,7-dihydropyrrolo[2,3-f]indol-3-yl)-6-pyrido[3,4-d]pyrimidinyl]-4-[3-(4-morpholinyl)propylthio]-2-butenamide IUPAC Name: (E)-N-[4-(6,7-dihydropyrrolo[2,3-f]indol-3-yl)pyrido[3,4-d]pyrimidin-6-yl]-4-(3-morpholin-4-ylpropylsulfanyl)but-2-enamide Traditional Name: (E)-N-[4-(6,7-dihydropyrrol[2,3-f]indol-3-yl)pyrido[3,4-d]pyrimidin-6-yl]-4-(3-morpholinopropylthio)but-2-enamide Formula: C28H29N7O2S MolecularWeight: 527.64056

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C2C1=CC3=NC=C(C3=C2)C4=NC=NC5=CN=C(C=C54)NC(=O)C=CCSCCCN6CCOCC6

Isomeric SMILES

C1CN=C2C1=CC3=NC=C(C3=C2)C4=NC=NC5=CN=C(C=C54)NC(=O)/C=C/CSCCCN6CCOCC6

InChI

InChI=1S/C28H29N7O2S/c36-27(3-1-11-38-12-2-6-35-7-9-37-10-8-35)34-26-15-21-25(17-31-26)32-18-33-28(21)22-16-30-24-13-19-4-5-29-23(19)14-20(22)24/h1,3,13-18H,2,4-12H2,(H,31,34,36)/b3-1+