1-butyl-3-[2-chloranyl-4-[6-methoxy-7-[2-(4-methylpiperazin-1-yl)ethoxy]quinazolin-4-yl]oxy-phenyl]urea

Systemtic Name: 1-butyl-3-[2-chloranyl-4-[6-methoxy-7-[2-(4-methylpiperazin-1-yl)ethoxy]quinazolin-4-yl]oxy-phenyl]urea Openeye Name: 1-butyl-3-[2-chloro-4-[6-methoxy-7-[2-(4-methylpiperazin-1-yl)ethoxy]quinazolin-4-yl]oxy-phenyl]urea CAS Name: 1-butyl-3-[2-chloro-4-[[6-methoxy-7-[2-(4-methyl-1-piperazinyl)ethoxy]-4-quinazolinyl]oxy]phenyl]urea IUPAC Name: 1-butyl-3-[2-chloro-4-[6-methoxy-7-[2-(4-methylpiperazin-1-yl)ethoxy]quinazolin-4-yl]oxyphenyl]urea Traditional Name: 1-butyl-3-[2-chloro-4-[6-methoxy-7-[2-(4-methylpiperazino)ethoxy]quinazolin-4-yl]oxy-phenyl]urea Formula: C27H35ClN6O4 MolecularWeight: 543.0576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC1=C(C=C(C=C1)OC2=NC=NC3=CC(=C(C=C32)OC)OCCN4CCN(CC4)C)Cl

Isomeric SMILES

CCCCNC(=O)NC1=C(C=C(C=C1)OC2=NC=NC3=CC(=C(C=C32)OC)OCCN4CCN(CC4)C)Cl

InChI

InChI=1S/C27H35ClN6O4/c1-4-5-8-29-27(35)32-22-7-6-19(15-21(22)28)38-26-20-16-24(36-3)25(17-23(20)30-18-31-26)37-14-13-34-11-9-33(2)10-12-34/h6-7,15-18H,4-5,8-14H2,1-3H3,(H2,29,32,35)