(phenylmethyl) N-[(1S)-3-azanyl-1-(4-azanyl-7-chloranyl-quinazolin-2-yl)-3-oxidanylidene-propyl]carbamate

Systemtic Name: (phenylmethyl) N-[(1S)-3-azanyl-1-(4-azanyl-7-chloranyl-quinazolin-2-yl)-3-oxidanylidene-propyl]carbamate Openeye Name: benzyl N-[(1S)-3-amino-1-(4-amino-7-chloro-quinazolin-2-yl)-3-oxo-propyl]carbamate CAS Name: N-[(1S)-3-amino-1-(4-amino-7-chloro-2-quinazolinyl)-3-oxopropyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(1S)-3-amino-1-(4-amino-7-chloroquinazolin-2-yl)-3-oxopropyl]carbamate Traditional Name: N-[(1S)-3-amino-1-(4-amino-7-chloro-quinazolin-2-yl)-3-keto-propyl]carbamic acid benzyl ester Formula: C19H18ClN5O3 MolecularWeight: 399.83092

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CC(=O)N)C2=NC3=C(C=CC(=C3)Cl)C(=N2)N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N[C@@H](CC(=O)N)C2=NC3=C(C=CC(=C3)Cl)C(=N2)N

InChI

InChI=1S/C19H18ClN5O3/c20-12-6-7-13-14(8-12)23-18(25-17(13)22)15(9-16(21)26)24-19(27)28-10-11-4-2-1-3-5-11/h1-8,15H,9-10H2,(H2,21,26)(H,24,27)(H2,22,23,25)/t15-/m0/s1