1-[4-[[6-methoxy-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-yl]amino]butan-2-yl]-1-phenyl-guanidine

Systemtic Name: 1-[4-[[6-methoxy-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-yl]amino]butan-2-yl]-1-phenyl-guanidine Openeye Name: 1-[3-[[6-methoxy-2-[(E)-2-(2-pyridyl)vinyl]quinazolin-4-yl]amino]-1-methyl-propyl]-1-phenyl-guanidine CAS Name: 1-[4-[[6-methoxy-2-[(E)-2-(2-pyridinyl)ethenyl]-4-quinazolinyl]amino]butan-2-yl]-1-phenylguanidine IUPAC Name: 1-[4-[[6-methoxy-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-yl]amino]butan-2-yl]-1-phenylguanidine Traditional Name: 1-[3-[[6-methoxy-2-[(E)-2-(2-pyridyl)vinyl]quinazolin-4-yl]amino]-1-methyl-propyl]-1-phenyl-guanidine Formula: C27H29N7O MolecularWeight: 467.56546

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCNC1=NC(=NC2=C1C=C(C=C2)OC)C=CC3=CC=CC=N3)N(C4=CC=CC=C4)C(=N)N

Isomeric SMILES

CC(CCNC1=NC(=NC2=C1C=C(C=C2)OC)/C=C/C3=CC=CC=N3)N(C4=CC=CC=C4)C(=N)N

InChI

InChI=1S/C27H29N7O/c1-19(34(27(28)29)21-9-4-3-5-10-21)15-17-31-26-23-18-22(35-2)12-13-24(23)32-25(33-26)14-11-20-8-6-7-16-30-20/h3-14,16,18-19H,15,17H2,1-2H3,(H3,28,29)(H,31,32,33)/b14-11+