(E)-4-[[4-(6-ethynyl-2,3-dihydroindol-1-yl)pyrido[3,4-d]pyrimidin-6-yl]amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[[4-(6-ethynyl-2,3-dihydroindol-1-yl)pyrido[3,4-d]pyrimidin-6-yl]amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[[4-(6-ethynylindolin-1-yl)pyrido[3,4-d]pyrimidin-6-yl]amino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[[4-(6-ethynyl-2,3-dihydroindol-1-yl)-6-pyrido[3,4-d]pyrimidinyl]amino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[[4-(6-ethynyl-2,3-dihydroindol-1-yl)pyrido[3,4-d]pyrimidin-6-yl]amino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[[4-(6-ethynylindolin-1-yl)pyrido[3,4-d]pyrimidin-6-yl]amino]-4-keto-but-2-enoic acid Formula: C21H15N5O3 MolecularWeight: 385.3755

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC2=C(CCN2C3=NC=NC4=CN=C(C=C43)NC(=O)C=CC(=O)O)C=C1

Isomeric SMILES

C#CC1=CC2=C(CCN2C3=NC=NC4=CN=C(C=C43)NC(=O)/C=C/C(=O)O)C=C1

InChI

InChI=1S/C21H15N5O3/c1-2-13-3-4-14-7-8-26(17(14)9-13)21-15-10-18(22-11-16(15)23-12-24-21)25-19(27)5-6-20(28)29/h1,3-6,9-12H,7-8H2,(H,28,29)(H,22,25,27)/b6-5+