3-[[6-nitro-4-(prop-2-enylamino)quinazolin-2-yl]amino]-1-piperidin-1-yl-propan-1-one

Systemtic Name: 3-[[6-nitro-4-(prop-2-enylamino)quinazolin-2-yl]amino]-1-piperidin-1-yl-propan-1-one Openeye Name: 3-[[4-(allylamino)-6-nitro-quinazolin-2-yl]amino]-1-(1-piperidyl)propan-1-one CAS Name: 3-[[6-nitro-4-(prop-2-enylamino)-2-quinazolinyl]amino]-1-(1-piperidinyl)-1-propanone IUPAC Name: 3-[[6-nitro-4-(prop-2-enylamino)quinazolin-2-yl]amino]-1-piperidin-1-ylpropan-1-one Traditional Name: 3-[[4-(allylamino)-6-nitro-quinazolin-2-yl]amino]-1-piperidino-propan-1-one Formula: C19H24N6O3 MolecularWeight: 384.43226

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NC(=NC2=C1C=C(C=C2)[N+](=O)[O-])NCCC(=O)N3CCCCC3

Isomeric SMILES

C=CCNC1=NC(=NC2=C1C=C(C=C2)[N+](=O)[O-])NCCC(=O)N3CCCCC3

InChI

InChI=1S/C19H24N6O3/c1-2-9-20-18-15-13-14(25(27)28)6-7-16(15)22-19(23-18)21-10-8-17(26)24-11-4-3-5-12-24/h2,6-7,13H,1,3-5,8-12H2,(H2,20,21,22,23)