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

Systemtic Name: 2-azanyl-6-[[(4-nitrophenyl)-prop-2-ynyl-amino]methyl]-1H-quinazolin-4-one Openeye Name: 2-amino-6-[(4-nitro-N-prop-2-ynyl-anilino)methyl]-1H-quinazolin-4-one CAS Name: 2-amino-6-[(4-nitro-N-prop-2-ynylanilino)methyl]-1H-quinazolin-4-one IUPAC Name: 2-amino-6-[(4-nitro-N-prop-2-ynylanilino)methyl]-1H-quinazolin-4-one Traditional Name: 2-amino-6-[(4-nitro-N-propargyl-anilino)methyl]-1H-quinazolin-4-one Formula: C18H15N5O3 MolecularWeight: 349.3434

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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)[N+](=O)[O-]

Isomeric SMILES

C#CCN(CC1=CC2=C(C=C1)NC(=NC2=O)N)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H15N5O3/c1-2-9-22(13-4-6-14(7-5-13)23(25)26)11-12-3-8-16-15(10-12)17(24)21-18(19)20-16/h1,3-8,10H,9,11H2,(H3,19,20,21,24)