1-[(4-azanylquinazolin-7-yl)methyl]-3-butyl-piperazin-2-one

Systemtic Name: 1-[(4-azanylquinazolin-7-yl)methyl]-3-butyl-piperazin-2-one Openeye Name: 1-[(4-aminoquinazolin-7-yl)methyl]-3-butyl-piperazin-2-one CAS Name: 1-[(4-amino-7-quinazolinyl)methyl]-3-butyl-2-piperazinone IUPAC Name: 1-[(4-aminoquinazolin-7-yl)methyl]-3-butylpiperazin-2-one Traditional Name: 1-[(4-aminoquinazolin-7-yl)methyl]-3-butyl-piperazin-2-one Formula: C17H23N5O MolecularWeight: 313.39742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(=O)N(CCN1)CC2=CC3=C(C=C2)C(=NC=N3)N

Isomeric SMILES

CCCCC1C(=O)N(CCN1)CC2=CC3=C(C=C2)C(=NC=N3)N

InChI

InChI=1S/C17H23N5O/c1-2-3-4-14-17(23)22(8-7-19-14)10-12-5-6-13-15(9-12)20-11-21-16(13)18/h5-6,9,11,14,19H,2-4,7-8,10H2,1H3,(H2,18,20,21)