1-(phenylmethyl)-3-[(5S)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]urea

Systemtic Name: 1-(phenylmethyl)-3-[(5S)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]urea Openeye Name: 1-benzyl-3-[(5S)-2-(3-pyridyl)-5,6,7,8-tetrahydroquinazolin-5-yl]urea CAS Name: 1-(phenylmethyl)-3-[(5S)-2-(3-pyridinyl)-5,6,7,8-tetrahydroquinazolin-5-yl]urea IUPAC Name: 1-benzyl-3-[(5S)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]urea Traditional Name: 1-benzyl-3-[(5S)-2-(3-pyridyl)-5,6,7,8-tetrahydroquinazolin-5-yl]urea Formula: C21H21N5O MolecularWeight: 359.42434

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=CN=C(N=C2C1)C3=CN=CC=C3)NC(=O)NCC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](C2=CN=C(N=C2C1)C3=CN=CC=C3)NC(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C21H21N5O/c27-21(24-12-15-6-2-1-3-7-15)26-19-10-4-9-18-17(19)14-23-20(25-18)16-8-5-11-22-13-16/h1-3,5-8,11,13-14,19H,4,9-10,12H2,(H2,24,26,27)/t19-/m0/s1