(4S)-2-(1,3-benzoxazol-2-ylamino)-7,7-dimethyl-4-pyridin-3-yl-4,4a,6,8-tetrahydroquinazolin-5-one

Systemtic Name: (4S)-2-(1,3-benzoxazol-2-ylamino)-7,7-dimethyl-4-pyridin-3-yl-4,4a,6,8-tetrahydroquinazolin-5-one Openeye Name: (4S)-2-(1,3-benzoxazol-2-ylamino)-7,7-dimethyl-4-(3-pyridyl)-4,4a,6,8-tetrahydroquinazolin-5-one CAS Name: (4S)-2-(1,3-benzoxazol-2-ylamino)-7,7-dimethyl-4-(3-pyridinyl)-4,4a,6,8-tetrahydroquinazolin-5-one IUPAC Name: (4S)-2-(1,3-benzoxazol-2-ylamino)-7,7-dimethyl-4-pyridin-3-yl-4,4a,6,8-tetrahydroquinazolin-5-one Traditional Name: (4S)-2-(1,3-benzoxazol-2-ylamino)-7,7-dimethyl-4-(3-pyridyl)-4,4a,6,8-tetrahydroquinazolin-5-one Formula: C22H21N5O2 MolecularWeight: 387.43444

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=NC(=NC(C2C(=O)C1)C3=CN=CC=C3)NC4=NC5=CC=CC=C5O4)C

Isomeric SMILES

CC1(CC2=NC(=N[C@@H](C2C(=O)C1)C3=CN=CC=C3)NC4=NC5=CC=CC=C5O4)C

InChI

InChI=1S/C22H21N5O2/c1-22(2)10-15-18(16(28)11-22)19(13-6-5-9-23-12-13)26-20(24-15)27-21-25-14-7-3-4-8-17(14)29-21/h3-9,12,18-19H,10-11H2,1-2H3,(H,25,26,27)/t18?,19-/m1/s1