3-[2-[1-[3-azanyl-1-cyclopropyl-8-methoxy-2,4-bis(oxidanylidene)quinazolin-7-yl]pyrrolidin-3-yl]ethylamino]propanenitrile

Systemtic Name: 3-[2-[1-[3-azanyl-1-cyclopropyl-8-methoxy-2,4-bis(oxidanylidene)quinazolin-7-yl]pyrrolidin-3-yl]ethylamino]propanenitrile Openeye Name: 3-[2-[1-(3-amino-1-cyclopropyl-8-methoxy-2,4-dioxo-quinazolin-7-yl)pyrrolidin-3-yl]ethylamino]propanenitrile CAS Name: 3-[2-[1-(3-amino-1-cyclopropyl-8-methoxy-2,4-dioxo-7-quinazolinyl)-3-pyrrolidinyl]ethylamino]propanenitrile IUPAC Name: 3-[2-[1-(3-amino-1-cyclopropyl-8-methoxy-2,4-dioxoquinazolin-7-yl)pyrrolidin-3-yl]ethylamino]propanenitrile Traditional Name: 3-[2-[1-(3-amino-1-cyclopropyl-2,4-diketo-8-methoxy-quinazolin-7-yl)pyrrolidin-3-yl]ethylamino]propionitrile Formula: C21H28N6O3 MolecularWeight: 412.48542

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC2=C1N(C(=O)N(C2=O)N)C3CC3)N4CCC(C4)CCNCCC#N

Isomeric SMILES

COC1=C(C=CC2=C1N(C(=O)N(C2=O)N)C3CC3)N4CCC(C4)CCNCCC#N

InChI

InChI=1S/C21H28N6O3/c1-30-19-17(25-12-8-14(13-25)7-11-24-10-2-9-22)6-5-16-18(19)26(15-3-4-15)21(29)27(23)20(16)28/h5-6,14-15,24H,2-4,7-8,10-13,23H2,1H3