1-[1-[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]carbonylcyclopentyl]-3-(phenylmethyl)urea

Systemtic Name: 1-[1-[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]carbonylcyclopentyl]-3-(phenylmethyl)urea Openeye Name: 1-[1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazine-1-carbonyl]cyclopentyl]-3-benzyl-urea CAS Name: 1-[1-[[4-[(4-amino-2-quinazolinyl)methyl]-1-piperazinyl]-oxomethyl]cyclopentyl]-3-(phenylmethyl)urea IUPAC Name: 1-[1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazine-1-carbonyl]cyclopentyl]-3-benzylurea Traditional Name: 1-[1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazine-1-carbonyl]cyclopentyl]-3-benzyl-urea Formula: C27H33N7O2 MolecularWeight: 487.59662

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4C(=N3)N)NC(=O)NCC5=CC=CC=C5

Isomeric SMILES

C1CCC(C1)(C(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4C(=N3)N)NC(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C27H33N7O2/c28-24-21-10-4-5-11-22(21)30-23(31-24)19-33-14-16-34(17-15-33)25(35)27(12-6-7-13-27)32-26(36)29-18-20-8-2-1-3-9-20/h1-5,8-11H,6-7,12-19H2,(H2,28,30,31)(H2,29,32,36)