(Z)-2-[4-[(2-methyl-1H-indol-5-yl)amino]quinazolin-6-yl]-4-(3-morpholin-4-ylpropylsulfanyl)but-2-enoate

Systemtic Name: (Z)-2-[4-[(2-methyl-1H-indol-5-yl)amino]quinazolin-6-yl]-4-(3-morpholin-4-ylpropylsulfanyl)but-2-enoate Openeye Name: (Z)-2-[4-[(2-methyl-1H-indol-5-yl)amino]quinazolin-6-yl]-4-(3-morpholinopropylsulfanyl)but-2-enoate CAS Name: (Z)-2-[4-[(2-methyl-1H-indol-5-yl)amino]-6-quinazolinyl]-4-[3-(4-morpholinyl)propylthio]-2-butenoate IUPAC Name: (Z)-2-[4-[(2-methyl-1H-indol-5-yl)amino]quinazolin-6-yl]-4-(3-morpholin-4-ylpropylsulfanyl)but-2-enoate Traditional Name: (Z)-2-[4-[(2-methyl-1H-indol-5-yl)amino]quinazolin-6-yl]-4-(3-morpholinopropylthio)but-2-enoate Formula: C28H30N5O3S- MolecularWeight: 516.6345

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(N1)C=CC(=C2)NC3=NC=NC4=C3C=C(C=C4)C(=CCSCCCN5CCOCC5)C(=O)[O-]

Isomeric SMILES

CC1=CC2=C(N1)C=CC(=C2)NC3=NC=NC4=C3C=C(C=C4)/C(=C/CSCCCN5CCOCC5)/C(=O)[O-]

InChI

InChI=1S/C28H31N5O3S/c1-19-15-21-16-22(4-6-25(21)31-19)32-27-24-17-20(3-5-26(24)29-18-30-27)23(28(34)35)7-14-37-13-2-8-33-9-11-36-12-10-33/h3-7,15-18,31H,2,8-14H2,1H3,(H,34,35)(H,29,30,32)/p-1/b23-7-