1-[(4-azanylquinazolin-7-yl)methyl]-4-[(E)-3-(5-chloranylthiophen-2-yl)prop-2-enyl]-5-methyl-piperazine-2,3-dione

Systemtic Name: 1-[(4-azanylquinazolin-7-yl)methyl]-4-[(E)-3-(5-chloranylthiophen-2-yl)prop-2-enyl]-5-methyl-piperazine-2,3-dione Openeye Name: 1-[(4-aminoquinazolin-7-yl)methyl]-4-[(E)-3-(5-chloro-2-thienyl)allyl]-5-methyl-piperazine-2,3-dione CAS Name: 1-[(4-amino-7-quinazolinyl)methyl]-4-[(E)-3-(5-chloro-2-thiophenyl)prop-2-enyl]-5-methylpiperazine-2,3-dione IUPAC Name: 1-[(4-aminoquinazolin-7-yl)methyl]-4-[(E)-3-(5-chlorothiophen-2-yl)prop-2-enyl]-5-methylpiperazine-2,3-dione Traditional Name: 1-[(4-aminoquinazolin-7-yl)methyl]-4-[(E)-3-(5-chloro-2-thienyl)allyl]-5-methyl-piperazine-2,3-quinone Formula: C21H20ClN5O2S MolecularWeight: 441.9338

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(=O)C(=O)N1CC=CC2=CC=C(S2)Cl)CC3=CC4=C(C=C3)C(=NC=N4)N

Isomeric SMILES

CC1CN(C(=O)C(=O)N1C/C=C/C2=CC=C(S2)Cl)CC3=CC4=C(C=C3)C(=NC=N4)N

InChI

InChI=1S/C21H20ClN5O2S/c1-13-10-26(11-14-4-6-16-17(9-14)24-12-25-19(16)23)20(28)21(29)27(13)8-2-3-15-5-7-18(22)30-15/h2-7,9,12-13H,8,10-11H2,1H3,(H2,23,24,25)/b3-2+