1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloranyl-quinazolin-2-yl]-3-butyl-urea

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloranyl-quinazolin-2-yl]-3-butyl-urea Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloro-quinazolin-2-yl]-3-butyl-urea CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloro-2-quinazolinyl]-3-butylurea IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloroquinazolin-2-yl]-3-butylurea Traditional Name: 1-butyl-3-[6-chloro-4-(piperonylamino)quinazolin-2-yl]urea Formula: C21H22ClN5O3 MolecularWeight: 427.88408

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC1=NC2=C(C=C(C=C2)Cl)C(=N1)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCNC(=O)NC1=NC2=C(C=C(C=C2)Cl)C(=N1)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H22ClN5O3/c1-2-3-8-23-21(28)27-20-25-16-6-5-14(22)10-15(16)19(26-20)24-11-13-4-7-17-18(9-13)30-12-29-17/h4-7,9-10H,2-3,8,11-12H2,1H3,(H3,23,24,25,26,27,28)