[4-(1H-indol-5-ylamino)quinazolin-6-yl] (E)-4-(3-morpholin-4-ylpropylsulfanyl)but-2-enoate

Systemtic Name: [4-(1H-indol-5-ylamino)quinazolin-6-yl] (E)-4-(3-morpholin-4-ylpropylsulfanyl)but-2-enoate Openeye Name: [4-(1H-indol-5-ylamino)quinazolin-6-yl] (E)-4-(3-morpholinopropylsulfanyl)but-2-enoate CAS Name: (E)-4-[3-(4-morpholinyl)propylthio]-2-butenoic acid [4-(1H-indol-5-ylamino)-6-quinazolinyl] ester IUPAC Name: [4-(1H-indol-5-ylamino)quinazolin-6-yl] (E)-4-(3-morpholin-4-ylpropylsulfanyl)but-2-enoate Traditional Name: (E)-4-(3-morpholinopropylthio)but-2-enoic acid [4-(1H-indol-5-ylamino)quinazolin-6-yl] ester Formula: C27H29N5O3S MolecularWeight: 503.61586

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCSCC=CC(=O)OC2=CC3=C(C=C2)N=CN=C3NC4=CC5=C(C=C4)NC=C5

Isomeric SMILES

C1COCCN1CCCSC/C=C/C(=O)OC2=CC3=C(C=C2)N=CN=C3NC4=CC5=C(C=C4)NC=C5

InChI

InChI=1S/C27H29N5O3S/c33-26(3-1-15-36-16-2-10-32-11-13-34-14-12-32)35-22-5-7-25-23(18-22)27(30-19-29-25)31-21-4-6-24-20(17-21)8-9-28-24/h1,3-9,17-19,28H,2,10-16H2,(H,29,30,31)/b3-1+