2-azanyl-6-[[(3,4-dichlorophenyl)-prop-2-ynyl-amino]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-azanyl-6-[[(3,4-dichlorophenyl)-prop-2-ynyl-amino]methyl]-1H-quinazolin-4-one Openeye Name: 2-amino-6-[(3,4-dichloro-N-prop-2-ynyl-anilino)methyl]-1H-quinazolin-4-one CAS Name: 2-amino-6-[(3,4-dichloro-N-prop-2-ynylanilino)methyl]-1H-quinazolin-4-one IUPAC Name: 2-amino-6-[(3,4-dichloro-N-prop-2-ynylanilino)methyl]-1H-quinazolin-4-one Traditional Name: 2-amino-6-[(3,4-dichloro-N-propargyl-anilino)methyl]-1H-quinazolin-4-one Formula: C18H14Cl2N4O MolecularWeight: 373.23596

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN(CC1=CC2=C(C=C1)NC(=NC2=O)N)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C#CCN(CC1=CC2=C(C=C1)NC(=NC2=O)N)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C18H14Cl2N4O/c1-2-7-24(12-4-5-14(19)15(20)9-12)10-11-3-6-16-13(8-11)17(25)23-18(21)22-16/h1,3-6,8-9H,7,10H2,(H3,21,22,23,25)